CID 389572

Nsc685879

Structural Information

Molecular Formula
C20H23N5O2S
SMILES
C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C20H23N5O2S/c21-15-9-11-16(12-10-15)28(26,27)24-19-20(25-13-5-1-2-6-14-25)23-18-8-4-3-7-17(18)22-19/h3-4,7-12H,1-2,5-6,13-14,21H2,(H,22,24)
InChIKey
QXSSXKUBUFTBPN-UHFFFAOYSA-N
Compound name
4-amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.15726 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.16454 195.7
[M+Na]+ 420.14648 205.9
[M+NH4]+ 415.19108 201.3
[M+K]+ 436.12042 198.7
[M-H]- 396.14998 200.2
[M+Na-2H]- 418.13193 202.9
[M]+ 397.15671 198.7
[M]- 397.15781 198.7
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

No patent data available for this compound.