CID 389571

Nsc685878

Structural Information

Molecular Formula
C19H21N5O2S
SMILES
C1CCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C19H21N5O2S/c20-14-8-10-15(11-9-14)27(25,26)23-18-19(24-12-4-1-5-13-24)22-17-7-3-2-6-16(17)21-18/h2-3,6-11H,1,4-5,12-13,20H2,(H,21,23)
InChIKey
PISYDPWKEWIDJD-UHFFFAOYSA-N
Compound name
4-amino-N-(3-piperidin-1-ylquinoxalin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1416 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14888 186.8
[M+Na]+ 406.13082 192.8
[M-H]- 382.13432 192.0
[M+NH4]+ 401.17542 194.3
[M+K]+ 422.10476 185.6
[M+H-H2O]+ 366.13886 176.1
[M+HCOO]- 428.13980 197.9
[M+CH3COO]- 442.15545 194.4
[M+Na-2H]- 404.11627 192.5
[M]+ 383.14105 183.1
[M]- 383.14215 183.1
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

No patent data available for this compound.