CID 63843

Urea, n-ethyl-n'-(2-(fluoromethyl)-3,4-dihydro-3-(2-methylphenyl)-4-oxo-6-quinazolinyl)-

Structural Information

Molecular Formula
C19H19FN4O2
SMILES
CCNC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3C)CF
InChI
InChI=1S/C19H19FN4O2/c1-3-21-19(26)22-13-8-9-15-14(10-13)18(25)24(17(11-20)23-15)16-7-5-4-6-12(16)2/h4-10H,3,11H2,1-2H3,(H2,21,22,26)
InChIKey
AWDUSYFRPIPMSK-UHFFFAOYSA-N
Compound name
1-ethyl-3-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1492 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.156476 184.4
[M+Na]+ 377.138418 193.3
[M-H]- 353.141924 188.6
[M+NH4]+ 372.183023 195.4
[M+K]+ 393.112358 187.2
[M+H-H2O]+ 337.146460 173.2
[M+HCOO]- 399.147401 204.7
[M+CH3COO]- 413.163051 220.9
[M+Na-2H]- 375.123866 188.6
[M]+ 354.14865142 185.2
[M]- 354.14974858 185.2
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.