CID 390407

Nsc687761

Structural Information

Molecular Formula
C23H19Cl2N5O4S
SMILES
CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C(=O)N1NC(=O)CNC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H19Cl2N5O4S/c1-14-27-21-11-10-19(35(33,34)29-18-8-4-16(25)5-9-18)12-20(21)23(32)30(14)28-22(31)13-26-17-6-2-15(24)3-7-17/h2-12,26,29H,13H2,1H3,(H,28,31)
InChIKey
YXAIXYSXEQHINM-UHFFFAOYSA-N
Compound name
2-(4-chloroanilino)-N-[6-[(4-chlorophenyl)sulfamoyl]-2-methyl-4-oxoquinazolin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.05347 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.06075 217.6
[M+Na]+ 554.04269 226.3
[M-H]- 530.04619 225.4
[M+NH4]+ 549.08729 222.4
[M+K]+ 570.01663 218.8
[M+H-H2O]+ 514.05073 208.2
[M+HCOO]- 576.05167 224.5
[M+CH3COO]- 590.06732 247.4
[M+Na-2H]- 552.02814 222.4
[M]+ 531.05292 224.9
[M]- 531.05402 224.9
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.