CID 63728

4449-71-2

Structural Information

Molecular Formula
C15H11IN2O
SMILES
CC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C15H11IN2O/c1-10-17-14-8-7-11(16)9-13(14)15(19)18(10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKey
JANJEPMDLDHTLL-UHFFFAOYSA-N
Compound name
6-iodo-2-methyl-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.9916 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.99888 157.8
[M+Na]+ 384.98082 161.7
[M-H]- 360.98432 155.9
[M+NH4]+ 380.02542 168.6
[M+K]+ 400.95476 162.1
[M+H-H2O]+ 344.98886 145.1
[M+HCOO]- 406.98980 173.9
[M+CH3COO]- 421.00545 166.2
[M+Na-2H]- 382.96627 153.9
[M]+ 361.99105 156.4
[M]- 361.99215 156.4
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.