CID 3070502

Brn 5641111

Structural Information

Molecular Formula
C18H23N5O3S
SMILES
C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=N3
InChI
InChI=1S/C18H23N5O3S/c19-27(25,26)16-6-4-15(5-7-16)21-18(24)8-10-22-11-13-23(14-12-22)17-3-1-2-9-20-17/h1-7,9H,8,10-14H2,(H,21,24)(H2,19,25,26)
InChIKey
JITYQIKVBGLDGU-UHFFFAOYSA-N
Compound name
3-(4-pyridin-2-ylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.15216 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15944 186.4
[M+Na]+ 412.14138 196.2
[M+NH4]+ 407.18598 191.0
[M+K]+ 428.11532 189.6
[M-H]- 388.14488 189.6
[M+Na-2H]- 410.12683 193.5
[M]+ 389.15161 188.7
[M]- 389.15271 188.7
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

No patent data available for this compound.