CID 13308538

2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C17H15NO3
SMILES
CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c1-18-15(11-7-3-2-4-8-11)14(17(20)21)12-9-5-6-10-13(12)16(18)19/h2-10,14-15H,1H3,(H,20,21)
InChIKey
BLTJXHMXPMPPBX-UHFFFAOYSA-N
Compound name
2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 163.3
[M+Na]+ 304.09442 171.1
[M-H]- 280.09792 168.3
[M+NH4]+ 299.13902 178.0
[M+K]+ 320.06836 166.4
[M+H-H2O]+ 264.10246 155.0
[M+HCOO]- 326.10340 180.6
[M+CH3COO]- 340.11905 199.8
[M+Na-2H]- 302.07987 166.5
[M]+ 281.10465 161.7
[M]- 281.10575 161.7
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.