CID 3703903

438017-40-4

Structural Information

Molecular Formula
C24H19Br2N3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4Br)C)Br
InChI
InChI=1S/C24H19Br2N3O2S/c1-14-7-9-16(10-8-14)29-23(31)17-5-3-4-6-20(17)27-24(29)32-13-21(30)28-22-18(25)11-15(2)12-19(22)26/h3-12H,13H2,1-2H3,(H,28,30)
InChIKey
LDDBKTXRLPZAAD-UHFFFAOYSA-N
Compound name
N-(2,6-dibromo-4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.9565 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.96378 185.9
[M+Na]+ 593.94572 195.9
[M-H]- 569.94922 195.8
[M+NH4]+ 588.99032 195.3
[M+K]+ 609.91966 179.3
[M+H-H2O]+ 553.95376 191.6
[M+HCOO]- 615.95470 195.1
[M+CH3COO]- 629.97035 196.4
[M+Na-2H]- 591.93117 189.5
[M]+ 570.95595 223.0
[M]- 570.95705 223.0
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.