CID 7275236

853318-83-9

Structural Information

Molecular Formula
C18H16BrN3O2
SMILES
CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)C
InChI
InChI=1S/C18H16BrN3O2/c1-11-3-5-14(7-12(11)2)21-17(23)9-22-10-20-16-6-4-13(19)8-15(16)18(22)24/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKey
MXDHKUYNVGEYFX-UHFFFAOYSA-N
Compound name
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3,4-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.0426 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.049876 180.1
[M+Na]+ 408.031818 192.1
[M-H]- 384.035324 188.0
[M+NH4]+ 403.076423 194.0
[M+K]+ 424.005758 179.1
[M+H-H2O]+ 368.039860 176.9
[M+HCOO]- 430.040801 198.3
[M+CH3COO]- 444.056451 218.6
[M+Na-2H]- 406.017266 185.7
[M]+ 385.04205142 200.6
[M]- 385.04314858 200.6
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.