CID 60163336

Quinazoline derivative 12

Structural Information

Molecular Formula
C19H16BrN3O3
SMILES
COC1=CC(=C(C=C1)Br)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4CC4
InChI
InChI=1S/C19H16BrN3O3/c1-26-12-8-9-15(20)14(10-12)18(24)22-23-17(11-6-7-11)21-16-5-3-2-4-13(16)19(23)25/h2-5,8-11H,6-7H2,1H3,(H,22,24)
InChIKey
OWJRZOOAIAWSHE-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-cyclopropyl-4-oxoquinazolin-3-yl)-5-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.0375 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.04478 190.5
[M+Na]+ 436.02672 203.4
[M-H]- 412.03022 201.2
[M+NH4]+ 431.07132 198.7
[M+K]+ 452.00066 189.8
[M+H-H2O]+ 396.03476 187.1
[M+HCOO]- 458.03570 209.0
[M+CH3COO]- 472.05135 201.8
[M+Na-2H]- 434.01217 195.2
[M]+ 413.03695 212.4
[M]- 413.03805 212.4
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.