CID 1307041

477318-89-1

Structural Information

Molecular Formula
C24H20BrN3O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4Br
InChI
InChI=1S/C24H20BrN3O3S/c1-2-31-17-13-11-16(12-14-17)28-23(30)18-7-3-5-9-20(18)27-24(28)32-15-22(29)26-21-10-6-4-8-19(21)25/h3-14H,2,15H2,1H3,(H,26,29)
InChIKey
PRWQFTORQPIVGH-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.0409 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.04818 201.8
[M+Na]+ 532.03012 212.1
[M-H]- 508.03362 211.7
[M+NH4]+ 527.07472 210.8
[M+K]+ 548.00406 198.2
[M+H-H2O]+ 492.03816 197.8
[M+HCOO]- 554.03910 214.9
[M+CH3COO]- 568.05475 211.9
[M+Na-2H]- 530.01557 206.0
[M]+ 509.04035 224.8
[M]- 509.04145 224.8
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.