CID 359489

Nsc620467

Structural Information

Molecular Formula
C24H19ClN6O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=NC4=NC5=C3C=CC(=C5)Cl)C
InChI
InChI=1S/C24H19ClN6O2S/c1-14-12-15(2)28-24(27-14)31-34(32,33)18-8-6-17(7-9-18)29-22-19-10-5-16(25)13-21(19)30-23-20(22)4-3-11-26-23/h3-13H,1-2H3,(H,26,29,30)(H,27,28,31)
InChIKey
PCOHYAGTTVYEHN-UHFFFAOYSA-N
Compound name
4-[(8-chlorobenzo[b][1,8]naphthyridin-5-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.09787 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.10515 214.8
[M+Na]+ 513.08709 226.5
[M-H]- 489.09059 221.7
[M+NH4]+ 508.13169 219.3
[M+K]+ 529.06103 216.8
[M+H-H2O]+ 473.09513 203.1
[M+HCOO]- 535.09607 223.7
[M+CH3COO]- 549.11172 222.4
[M+Na-2H]- 511.07254 223.4
[M]+ 490.09732 221.5
[M]- 490.09842 221.5
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.