CID 1543096

473991-30-9

Structural Information

Molecular Formula
C23H18BrN3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br
InChI
InChI=1S/C23H18BrN3O2S/c1-15-6-12-18(13-7-15)27-22(29)19-4-2-3-5-20(19)26-23(27)30-14-21(28)25-17-10-8-16(24)9-11-17/h2-13H,14H2,1H3,(H,25,28)
InChIKey
ADTMBSUQPGEUOJ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.0303 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.03758 195.2
[M+Na]+ 502.01952 206.4
[M-H]- 478.02302 205.4
[M+NH4]+ 497.06412 205.5
[M+K]+ 517.99346 191.9
[M+H-H2O]+ 462.02756 191.7
[M+HCOO]- 524.02850 208.6
[M+CH3COO]- 538.04415 206.0
[M+Na-2H]- 500.00497 199.7
[M]+ 479.02975 216.8
[M]- 479.03085 216.8
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.