PubChemLite - 63732-41-2 (C19H26NO4P)

Structural Information

Molecular Formula

SMILES

C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OP(=O)(O)O

InChI

InChI=1S/C19H26NO4P/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(13-17(14)19)24-25(21,22)23/h2,6-7,13,16,18H,1,3-5,8-12H2,(H2,21,22,23)/t16-,18+,19+/m0/s1

InChIKey

WEZYGLVLIQZWQM-QXAKKESOSA-N

Compound name

[(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] dihydrogen phosphate

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]+	364.16722	187.5
[M+Na]+	386.14916	190.6
[M-H]-	362.15266	186.6
[M+NH4]+	381.19376	201.7
[M+K]+	402.12310	185.9
[M+H-H2O]+	346.15720	176.7
[M+HCOO]-	408.15814	199.6
[M+CH3COO]-	422.17379	212.8
[M+Na-2H]-	384.13461	188.6
[M]+	363.15939	182.5
[M]-	363.16049	182.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

364.16722

187.5

[M+Na]+

386.14916

190.6

[M-H]-

362.15266

186.6

[M+NH4]+

381.19376

201.7

[M+K]+

402.12310

185.9

[M+H-H2O]+

346.15720

176.7

[M+HCOO]-

408.15814

199.6

[M+CH3COO]-

422.17379

212.8

[M+Na-2H]-

384.13461

188.6

[M]+

363.15939

182.5

[M]-

363.16049

182.5

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

63732-41-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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