PubChemLite - 4-trans-hydroxyglipizide (C21H27N5O5S)

Structural Information

Molecular Formula

SMILES

CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)O

InChI

InChI=1S/C21H27N5O5S/c1-14-12-24-19(13-23-14)20(28)22-11-10-15-2-8-18(9-3-15)32(30,31)26-21(29)25-16-4-6-17(27)7-5-16/h2-3,8-9,12-13,16-17,27H,4-7,10-11H2,1H3,(H,22,28)(H2,25,26,29)

InChIKey

WPQWQJBFAJEUHS-UHFFFAOYSA-N

Compound name

N-[2-[4-[(4-hydroxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-methylpyrazine-2-carboxamide

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]+	462.18056	202.1
[M+Na]+	484.16250	208.9
[M+NH4]+	479.20710	204.7
[M+K]+	500.13644	204.2
[M-H]-	460.16600	204.5
[M+Na-2H]-	482.14795	207.4
[M]+	461.17273	203.5
[M]-	461.17383	203.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.18056

202.1

[M+Na]+

484.16250

208.9

[M+NH4]+

479.20710

204.7

[M+K]+

500.13644

204.2

[M-H]-

460.16600

204.5

[M+Na-2H]-

482.14795

207.4

[M]+

461.17273

203.5

[M]-

461.17383

203.5

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

4-trans-hydroxyglipizide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe