CID 357312

Azacidimidine

Structural Information

Molecular Formula
C24H20N6O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=NC4=NC5=CC=CC=C53)C
InChI
InChI=1S/C24H20N6O2S/c1-15-14-16(2)27-24(26-15)30-33(31,32)18-11-9-17(10-12-18)28-22-19-6-3-4-8-21(19)29-23-20(22)7-5-13-25-23/h3-14H,1-2H3,(H,25,28,29)(H,26,27,30)
InChIKey
YXPPVTKKLQNUFY-UHFFFAOYSA-N
Compound name
4-(benzo[b][1,8]naphthyridin-5-ylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.13684 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.14412 208.9
[M+Na]+ 479.12606 219.3
[M-H]- 455.12956 215.6
[M+NH4]+ 474.17066 213.5
[M+K]+ 495.10000 210.0
[M+H-H2O]+ 439.13410 196.8
[M+HCOO]- 501.13504 222.3
[M+CH3COO]- 515.15069 216.5
[M+Na-2H]- 477.11151 218.6
[M]+ 456.13629 212.7
[M]- 456.13739 212.7
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.