CID 359488

Nsc620466

Structural Information

Molecular Formula
C18H13ClN4O2S
SMILES
C1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2N=C1)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C18H13ClN4O2S/c19-11-3-8-14-16(10-11)23-18-15(2-1-9-21-18)17(14)22-12-4-6-13(7-5-12)26(20,24)25/h1-10H,(H2,20,24,25)(H,21,22,23)
InChIKey
DZMNRZNGKGXSNJ-UHFFFAOYSA-N
Compound name
4-[(8-chlorobenzo[b][1,8]naphthyridin-5-yl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.04477 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05205 184.2
[M+Na]+ 407.03399 196.1
[M-H]- 383.03749 190.4
[M+NH4]+ 402.07859 196.0
[M+K]+ 423.00793 187.9
[M+H-H2O]+ 367.04203 175.9
[M+HCOO]- 429.04297 196.4
[M+CH3COO]- 443.05862 194.6
[M+Na-2H]- 405.01944 193.5
[M]+ 384.04422 189.4
[M]- 384.04532 189.4
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.