CID 390403

Nsc687757

Structural Information

Molecular Formula
C23H21N5O4S
SMILES
CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C(=O)N1NC(=O)CNC4=CC=CC=C4
InChI
InChI=1S/C23H21N5O4S/c1-16-25-21-13-12-19(33(31,32)27-18-10-6-3-7-11-18)14-20(21)23(30)28(16)26-22(29)15-24-17-8-4-2-5-9-17/h2-14,24,27H,15H2,1H3,(H,26,29)
InChIKey
YHYFNAIRYLYWBC-UHFFFAOYSA-N
Compound name
2-anilino-N-[2-methyl-4-oxo-6-(phenylsulfamoyl)quinazolin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

463.13144 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.13872 205.8
[M+Na]+ 486.12066 212.2
[M-H]- 462.12416 213.6
[M+NH4]+ 481.16526 211.1
[M+K]+ 502.09460 205.6
[M+H-H2O]+ 446.12870 194.6
[M+HCOO]- 508.12964 222.1
[M+CH3COO]- 522.14529 238.2
[M+Na-2H]- 484.10611 213.1
[M]+ 463.13089 208.2
[M]- 463.13199 208.2
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.