CID 60161489

Quinazoline derivative 13

Structural Information

Molecular Formula
C19H16ClN3O3
SMILES
COC1=CC(=C(C=C1)Cl)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4CC4
InChI
InChI=1S/C19H16ClN3O3/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
PHWRMNPWLIXVPO-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-cyclopropyl-4-oxoquinazolin-3-yl)-5-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.088 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.09528 186.5
[M+Na]+ 392.07722 197.9
[M-H]- 368.08072 194.9
[M+NH4]+ 387.12182 193.1
[M+K]+ 408.05116 190.4
[M+H-H2O]+ 352.08526 177.1
[M+HCOO]- 414.08620 203.1
[M+CH3COO]- 428.10185 196.5
[M+Na-2H]- 390.06267 190.1
[M]+ 369.08745 193.3
[M]- 369.08855 193.3
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.