CID 3086852

112392-94-6

Structural Information

Molecular Formula
C22H24N2O3
SMILES
CCN(CC)CCN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C22H24N2O3/c1-3-23(4-2)14-15-24-20(22(26)27)19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)21(24)25/h5-13H,3-4,14-15H2,1-2H3,(H,26,27)
InChIKey
GLHZWNPVMRBAKR-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17868 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 188.0
[M+Na]+ 387.16790 202.2
[M+NH4]+ 382.21250 194.7
[M+K]+ 403.14184 194.4
[M-H]- 363.17140 192.3
[M+Na-2H]- 385.15335 195.1
[M]+ 364.17813 191.2
[M]- 364.17923 191.2
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.