CID 4433924

302913-41-3

Structural Information

Molecular Formula
C15H10FIN2O
SMILES
C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=C(C=C3)I)F
InChI
InChI=1S/C15H10FIN2O/c16-13-4-2-1-3-10(13)8-19-9-18-14-6-5-11(17)7-12(14)15(19)20/h1-7,9H,8H2
InChIKey
YJNYAMBQRWOBBN-UHFFFAOYSA-N
Compound name
3-[(2-fluorophenyl)methyl]-6-iodoquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.98218 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.98946 160.4
[M+Na]+ 402.97140 164.3
[M-H]- 378.97490 157.1
[M+NH4]+ 398.01600 170.4
[M+K]+ 418.94534 164.2
[M+H-H2O]+ 362.97944 146.7
[M+HCOO]- 424.98038 175.5
[M+CH3COO]- 438.99603 168.2
[M+Na-2H]- 400.95685 155.9
[M]+ 379.98163 158.0
[M]- 379.98273 158.0
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.