CID 200697

Benzoic acid, 4-(2-methyl-4-oxo-3(4h)-quinazolinyl)-, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C22H25N3O3
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C22H25N3O3/c1-4-24(5-2)14-15-28-22(27)17-10-12-18(13-11-17)25-16(3)23-20-9-7-6-8-19(20)21(25)26/h6-13H,4-5,14-15H2,1-3H3
InChIKey
BNBPIIXOCZZPCZ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 193.2
[M+Na]+ 402.17882 200.3
[M-H]- 378.18232 199.2
[M+NH4]+ 397.22342 203.5
[M+K]+ 418.15276 196.1
[M+H-H2O]+ 362.18686 181.9
[M+HCOO]- 424.18780 213.1
[M+CH3COO]- 438.20345 226.7
[M+Na-2H]- 400.16427 195.9
[M]+ 379.18905 198.7
[M]- 379.19015 198.7
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.