CID 63524

Carbamic acid, (2-(fluoromethyl)-3,4-dihydro-3-(2-methylphenyl)-4-oxo-6-quinazolinyl)-, ethyl ester

Structural Information

Molecular Formula
C19H18FN3O3
SMILES
CCOC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3C)CF
InChI
InChI=1S/C19H18FN3O3/c1-3-26-19(25)21-13-8-9-15-14(10-13)18(24)23(17(11-20)22-15)16-7-5-4-6-12(16)2/h4-10H,3,11H2,1-2H3,(H,21,25)
InChIKey
LKMIFCPKOYSZNT-UHFFFAOYSA-N
Compound name
ethyl N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1332 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.140476 183.8
[M+Na]+ 378.122418 193.3
[M-H]- 354.125924 188.0
[M+NH4]+ 373.167023 194.9
[M+K]+ 394.096358 187.8
[M+H-H2O]+ 338.130460 172.6
[M+HCOO]- 400.131401 203.2
[M+CH3COO]- 414.147051 217.9
[M+Na-2H]- 376.107866 187.4
[M]+ 355.13265142 186.5
[M]- 355.13374858 186.5
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.