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 184.4
[M+Na]+ 377.13842 193.3
[M-H]- 353.14192 188.6
[M+NH4]+ 372.18302 195.4
[M+K]+ 393.11236 187.2
[M+H-H2O]+ 337.14646 173.2
[M+HCOO]- 399.14740 204.7
[M+CH3COO]- 413.16305 220.9
[M+Na-2H]- 375.12387 188.6
[M]+ 354.14865 185.2
[M]- 354.14975 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.