CID 60703119

2-(4-iodophenyl)isoquinoline-1,3(2h,4h)-dione

Structural Information

Molecular Formula
C15H10INO2
SMILES
C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)I
InChI
InChI=1S/C15H10INO2/c16-11-5-7-12(8-6-11)17-14(18)9-10-3-1-2-4-13(10)15(17)19/h1-8H,9H2
InChIKey
JCKXRNWMZHSAFE-UHFFFAOYSA-N
Compound name
2-(4-iodophenyl)-4H-isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.97562 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.98290 166.4
[M+Na]+ 385.96484 174.3
[M+NH4]+ 381.00944 170.9
[M+K]+ 401.93878 169.4
[M-H]- 361.96834 164.7
[M+Na-2H]- 383.95029 161.8
[M]+ 362.97507 166.1
[M]- 362.97617 166.1
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.