CID 63843

Brn 0851581

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]+ 355.15648 183.5
[M+Na]+ 377.13842 196.8
[M+NH4]+ 372.18302 189.1
[M+K]+ 393.11236 189.4
[M-H]- 353.14192 186.4
[M+Na-2H]- 375.12387 190.2
[M]+ 354.14865 186.0
[M]- 354.14975 186.0
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.