CID 132350996

2138132-33-7

Structural Information

Molecular Formula
C25H20ClNO4
SMILES
C1C(C2=C(CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C25H20ClNO4/c26-16-9-10-17-15(11-16)12-27(13-22(17)24(28)29)25(30)31-14-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23/h1-11,22-23H,12-14H2,(H,28,29)
InChIKey
GLEXAOWFGNDPOG-UHFFFAOYSA-N
Compound name
7-chloro-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1081 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.11538 201.7
[M+Na]+ 456.09732 209.1
[M-H]- 432.10082 207.9
[M+NH4]+ 451.14192 214.4
[M+K]+ 472.07126 202.0
[M+H-H2O]+ 416.10536 193.0
[M+HCOO]- 478.10630 210.6
[M+CH3COO]- 492.12195 209.9
[M+Na-2H]- 454.08277 201.3
[M]+ 433.10755 204.4
[M]- 433.10865 204.4
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.