CID 3056761

Brn 0834835

Structural Information

Molecular Formula
C17H14FN3O2
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)NC=O)CF
InChI
InChI=1S/C17H14FN3O2/c1-11-4-2-3-5-15(11)21-16(9-18)20-14-7-6-12(19-10-22)8-13(14)17(21)23/h2-8,10H,9H2,1H3,(H,19,22)
InChIKey
DBBNMJGLPKCGJW-UHFFFAOYSA-N
Compound name
N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11428 171.3
[M+Na]+ 334.09622 182.1
[M-H]- 310.09972 175.7
[M+NH4]+ 329.14082 184.3
[M+K]+ 350.07016 175.7
[M+H-H2O]+ 294.10426 160.5
[M+HCOO]- 356.10520 192.2
[M+CH3COO]- 370.12085 210.2
[M+Na-2H]- 332.08167 177.0
[M]+ 311.10645 172.7
[M]- 311.10755 172.7
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.