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]+ 390.159436 189.2
[M+Na]+ 412.141378 193.2
[M-H]- 388.144884 193.4
[M+NH4]+ 407.185983 195.2
[M+K]+ 428.115318 187.2
[M+H-H2O]+ 372.149420 178.5
[M+HCOO]- 434.150361 200.4
[M+CH3COO]- 448.166011 219.4
[M+Na-2H]- 410.126826 191.8
[M]+ 389.15161142 185.8
[M]- 389.15270858 185.8
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.