CID 1890335

N-(2-bromo-4-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C24H20BrN3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)C)Br
InChI
InChI=1S/C24H20BrN3O2S/c1-15-7-10-17(11-8-15)28-23(30)18-5-3-4-6-20(18)27-24(28)31-14-22(29)26-21-12-9-16(2)13-19(21)25/h3-13H,14H2,1-2H3,(H,26,29)
InChIKey
XSVCDLFJGLPDTN-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.04596 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.053236 200.0
[M+Na]+ 516.035178 211.4
[M-H]- 492.038684 210.3
[M+NH4]+ 511.079783 210.0
[M+K]+ 532.009118 196.9
[M+H-H2O]+ 476.043220 196.3
[M+HCOO]- 538.044161 212.9
[M+CH3COO]- 552.059811 210.6
[M+Na-2H]- 514.020626 203.3
[M]+ 493.04541142 222.2
[M]- 493.04650858 222.2
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.