CID 63445

4(3h)-quinazolinone, 3-(2,4-dimethylphenyl)-6-iodo-2-methyl-

Structural Information

Molecular Formula
C17H15IN2O
SMILES
CC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C)C
InChI
InChI=1S/C17H15IN2O/c1-10-4-7-16(11(2)8-10)20-12(3)19-15-6-5-13(18)9-14(15)17(20)21/h4-9H,1-3H3
InChIKey
RLIYGZRMLCTDBL-UHFFFAOYSA-N
Compound name
3-(2,4-dimethylphenyl)-6-iodo-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.02292 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.03020 166.4
[M+Na]+ 413.01214 171.2
[M-H]- 389.01564 164.9
[M+NH4]+ 408.05674 176.7
[M+K]+ 428.98608 171.3
[M+H-H2O]+ 373.02018 153.8
[M+HCOO]- 435.02112 181.8
[M+CH3COO]- 449.03677 174.7
[M+Na-2H]- 410.99759 160.1
[M]+ 390.02237 166.4
[M]- 390.02347 166.4
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.