CID 65779

Glisentide

Structural Information

Molecular Formula
C22H27N3O5S
SMILES
COC1=CC=CC=C1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCC3
InChI
InChI=1S/C22H27N3O5S/c1-30-20-9-5-4-8-19(20)21(26)23-15-14-16-10-12-18(13-11-16)31(28,29)25-22(27)24-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14-15H2,1H3,(H,23,26)(H2,24,25,27)
InChIKey
NSJYMFYVNWVGON-UHFFFAOYSA-N
Compound name
N-[2-[4-(cyclopentylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3718
Patents

445.16714 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17442 203.0
[M+Na]+ 468.15636 209.0
[M+NH4]+ 463.20096 207.2
[M+K]+ 484.13030 204.8
[M-H]- 444.15986 206.5
[M+Na-2H]- 466.14181 208.4
[M]+ 445.16659 204.7
[M]- 445.16769 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe