PubChemLite - Morphine-6-succinate (C21H23NO6)

Structural Information

Molecular Formula

SMILES

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)OC(=O)CCC(=O)O

InChI

InChI=1S/C21H23NO6/c1-22-9-8-21-12-3-5-15(27-17(26)7-6-16(24)25)20(21)28-19-14(23)4-2-11(18(19)21)10-13(12)22/h2-5,12-13,15,20,23H,6-10H2,1H3,(H,24,25)/t12-,13+,15-,20-,21-/m0/s1

InChIKey

RVCMQOUQLRUENR-XSFUTMHBSA-N

Compound name

4-[[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-4-oxobutanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	386.15981	187.8
[M+Na]+	408.14175	192.1
[M-H]-	384.14525	189.1
[M+NH4]+	403.18635	202.6
[M+K]+	424.11569	189.6
[M+H-H2O]+	368.14979	180.1
[M+HCOO]-	430.15073	193.5
[M+CH3COO]-	444.16638	195.2
[M+Na-2H]-	406.12720	189.1
[M]+	385.15198	189.4
[M]-	385.15308	189.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

386.15981

187.8

[M+Na]+

408.14175

192.1

[M-H]-

384.14525

189.1

[M+NH4]+

403.18635

202.6

[M+K]+

424.11569

189.6

[M+H-H2O]+

368.14979

180.1

[M+HCOO]-

430.15073

193.5

[M+CH3COO]-

444.16638

195.2

[M+Na-2H]-

406.12720

189.1

[M]+

385.15198

189.4

[M]-

385.15308

189.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Morphine-6-succinate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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