CID 3086850

112392-92-4

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CCN(CC)CCCN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C23H26N2O3/c1-3-24(4-2)15-10-16-25-21(23(27)28)20(17-11-6-5-7-12-17)18-13-8-9-14-19(18)22(25)26/h5-9,11-14H,3-4,10,15-16H2,1-2H3,(H,27,28)
InChIKey
NBXRUJBJSYDTRT-UHFFFAOYSA-N
Compound name
2-[3-(diethylamino)propyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.19434 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 192.5
[M+Na]+ 401.18356 206.5
[M+NH4]+ 396.22816 199.0
[M+K]+ 417.15750 198.5
[M-H]- 377.18706 196.8
[M+Na-2H]- 399.16901 199.4
[M]+ 378.19379 195.7
[M]- 378.19489 195.7
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.