CID 63840

Brn 0827917

Structural Information

Molecular Formula
C16H13F2N3O
SMILES
CC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)N)N=C2C(F)F
InChI
InChI=1S/C16H13F2N3O/c1-9-4-2-3-5-13(9)21-15(14(17)18)20-12-7-6-10(19)8-11(12)16(21)22/h2-8,14H,19H2,1H3
InChIKey
RSHMKFILJONIAR-UHFFFAOYSA-N
Compound name
6-amino-2-(difluoromethyl)-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.10266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10994 168.5
[M+Na]+ 324.09188 179.5
[M-H]- 300.09538 171.3
[M+NH4]+ 319.13648 181.7
[M+K]+ 340.06582 172.9
[M+H-H2O]+ 284.09992 157.3
[M+HCOO]- 346.10086 186.7
[M+CH3COO]- 360.11651 179.3
[M+Na-2H]- 322.07733 171.9
[M]+ 301.10211 166.3
[M]- 301.10321 166.3
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.