CID 1543103

499104-14-2

Structural Information

Molecular Formula
C24H19BrN4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H19BrN4O3S/c1-15(30)26-17-8-10-18(11-9-17)27-22(31)14-33-24-28-21-5-3-2-4-20(21)23(32)29(24)19-12-6-16(25)7-13-19/h2-13H,14H2,1H3,(H,26,30)(H,27,31)
InChIKey
UHJLQGANRKDVTH-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.03613 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.04341 202.7
[M+Na]+ 545.02535 211.8
[M-H]- 521.02885 212.5
[M+NH4]+ 540.06995 210.6
[M+K]+ 560.99929 197.8
[M+H-H2O]+ 505.03339 198.4
[M+HCOO]- 567.03433 215.9
[M+CH3COO]- 581.04998 212.2
[M+Na-2H]- 543.01080 207.1
[M]+ 522.03558 223.9
[M]- 522.03668 223.9
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.