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]+ 386.04988 178.7
[M+Na]+ 408.03182 184.6
[M+NH4]+ 403.07642 182.3
[M+K]+ 424.00576 183.1
[M-H]- 384.03532 181.1
[M+Na-2H]- 406.01727 183.1
[M]+ 385.04205 179.1
[M]- 385.04315 179.1
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.