CID 364448

Azacridodimidine

Structural Information

Molecular Formula
C25H20N6O4S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CN4C3=NC5=CC=CC=C5C4=O)C
InChI
InChI=1S/C25H20N6O4S/c1-15-14-16(2)27-25(26-15)30-36(34,35)18-11-9-17(10-12-18)28-23(32)20-7-5-13-31-22(20)29-21-8-4-3-6-19(21)24(31)33/h3-14H,1-2H3,(H,28,32)(H,26,27,30)
InChIKey
GWMNXAFONQZWTO-UHFFFAOYSA-N
Compound name
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

500.12668 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.13396 219.1
[M+Na]+ 523.11590 229.0
[M-H]- 499.11940 226.1
[M+NH4]+ 518.16050 221.6
[M+K]+ 539.08984 221.0
[M+H-H2O]+ 483.12394 206.9
[M+HCOO]- 545.12488 231.6
[M+CH3COO]- 559.14053 226.0
[M+Na-2H]- 521.10135 227.3
[M]+ 500.12613 224.2
[M]- 500.12723 224.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.