CID 3049804

Brn 0732980

Structural Information

Molecular Formula
C31H26BrN3O2S
SMILES
CC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C31H26BrN3O2S/c1-22-10-8-9-15-28(22)35-30(37)26-18-25(32)16-17-27(26)33-31(35)38-21-29(36)34(19-23-11-4-2-5-12-23)20-24-13-6-3-7-14-24/h2-18H,19-21H2,1H3
InChIKey
PBVSLQKHPSPIMK-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-[6-bromo-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.0929 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.10018 213.6
[M+Na]+ 606.08212 221.9
[M+NH4]+ 601.12672 217.8
[M+K]+ 622.05606 216.3
[M-H]- 582.08562 220.9
[M+Na-2H]- 604.06757 222.6
[M]+ 583.09235 216.5
[M]- 583.09345 216.5
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.