CID 63169

77300-82-4

Structural Information

Molecular Formula
C13H16IN3O
SMILES
CC1=NC2=C(C=C(C=C2)I)C(=O)N1CCN(C)C
InChI
InChI=1S/C13H16IN3O/c1-9-15-12-5-4-10(14)8-11(12)13(18)17(9)7-6-16(2)3/h4-5,8H,6-7H2,1-3H3
InChIKey
OYHGZKXJZCBYNK-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl]-6-iodo-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.0338 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.04108 160.2
[M+Na]+ 380.02302 163.0
[M-H]- 356.02652 156.8
[M+NH4]+ 375.06762 172.1
[M+K]+ 395.99696 165.9
[M+H-H2O]+ 340.03106 148.4
[M+HCOO]- 402.03200 177.2
[M+CH3COO]- 416.04765 210.4
[M+Na-2H]- 378.00847 154.4
[M]+ 357.03325 161.3
[M]- 357.03435 161.3
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.