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 157.6
[M+Na]+ 385.96484 159.7
[M-H]- 361.96834 156.5
[M+NH4]+ 381.00944 169.3
[M+K]+ 401.93878 160.8
[M+H-H2O]+ 345.97288 145.7
[M+HCOO]- 407.97382 172.7
[M+CH3COO]- 421.98947 165.7
[M+Na-2H]- 383.95029 151.7
[M]+ 362.97507 153.7
[M]- 362.97617 153.7
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.