CID 219111

Glypinamide

Structural Information

Molecular Formula
C13H18ClN3O3S
SMILES
C1CCCN(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H18ClN3O3S/c14-11-5-7-12(8-6-11)21(19,20)16-13(18)15-17-9-3-1-2-4-10-17/h5-8H,1-4,9-10H2,(H2,15,16,18)
InChIKey
RHQSNARBXHRBNP-UHFFFAOYSA-N
Compound name
1-(azepan-1-yl)-3-(4-chlorophenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2316
Patents

331.07574 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08302 173.0
[M+Na]+ 354.06496 176.2
[M-H]- 330.06846 178.2
[M+NH4]+ 349.10956 184.7
[M+K]+ 370.03890 177.3
[M+H-H2O]+ 314.07300 164.9
[M+HCOO]- 376.07394 182.8
[M+CH3COO]- 390.08959 205.4
[M+Na-2H]- 352.05041 175.1
[M]+ 331.07519 168.7
[M]- 331.07629 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe