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]+ 356.14048 183.8
[M+Na]+ 378.12242 193.3
[M-H]- 354.12592 188.0
[M+NH4]+ 373.16702 194.9
[M+K]+ 394.09636 187.8
[M+H-H2O]+ 338.13046 172.6
[M+HCOO]- 400.13140 203.2
[M+CH3COO]- 414.14705 217.9
[M+Na-2H]- 376.10787 187.4
[M]+ 355.13265 186.5
[M]- 355.13375 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.