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 196.6
[M+Na]+ 532.03012 203.1
[M+NH4]+ 527.07472 200.2
[M+K]+ 548.00406 199.3
[M-H]- 508.03362 201.1
[M+Na-2H]- 530.01557 203.1
[M]+ 509.04035 198.2
[M]- 509.04145 198.2
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.