CID 135400588

32787-68-1

Structural Information

Molecular Formula
C21H17N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C21H17N3O3S/c1-14-10-12-15(13-11-14)28(26,27)24-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(25)23-20/h2-13,24H,1H3,(H,22,23,25)
InChIKey
PJUVRKPTCSHXQT-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

391.09906 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10634 191.3
[M+Na]+ 414.08828 200.6
[M-H]- 390.09178 198.4
[M+NH4]+ 409.13288 200.0
[M+K]+ 430.06222 192.5
[M+H-H2O]+ 374.09632 181.2
[M+HCOO]- 436.09726 205.5
[M+CH3COO]- 450.11291 200.4
[M+Na-2H]- 412.07373 197.5
[M]+ 391.09851 192.6
[M]- 391.09961 192.6
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

patents stripe