PubChemLite - 1159637-28-1 (C24H41NO10)

Structural Information

Molecular Formula

SMILES

CC12CC3CC(C1)(CC(C3)(C2)NC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)C

InChI

InChI=1S/C24H41NO10/c1-22-3-11-4-23(2,8-22)10-24(5-11,9-22)25-20-17(31)16(30)19(13(7-27)33-20)35-21-18(32)15(29)14(28)12(6-26)34-21/h11-21,25-32H,3-10H2,1-2H3

InChIKey

IDHWSQNFOHZVMN-UHFFFAOYSA-N

Compound name

2-[6-[(3,5-dimethyl-1-adamantyl)amino]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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]+	504.28032	215.5
[M+Na]+	526.26226	213.7
[M-H]-	502.26576	207.4
[M+NH4]+	521.30686	225.5
[M+K]+	542.23620	214.8
[M+H-H2O]+	486.27030	208.3
[M+HCOO]-	548.27124	202.0
[M+CH3COO]-	562.28689	215.7
[M+Na-2H]-	524.24771	229.5
[M]+	503.27249	209.9
[M]-	503.27359	209.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

504.28032

215.5

[M+Na]+

526.26226

213.7

[M-H]-

502.26576

207.4

[M+NH4]+

521.30686

225.5

[M+K]+

542.23620

214.8

[M+H-H2O]+

486.27030

208.3

[M+HCOO]-

548.27124

202.0

[M+CH3COO]-

562.28689

215.7

[M+Na-2H]-

524.24771

229.5

[M]+

503.27249

209.9

[M]-

503.27359

209.9

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

1159637-28-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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