CID 154725619

2411591-51-8

Structural Information

Molecular Formula
C25H20ClNO4
SMILES
C1[C@H](N(CC2=C1C=CC(=C2)Cl)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C25H20ClNO4/c26-17-10-9-15-12-23(24(28)29)27(13-16(15)11-17)25(30)31-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-11,22-23H,12-14H2,(H,28,29)/t23-/m0/s1
InChIKey
CGSHLSMQBIOWRE-QHCPKHFHSA-N
Compound name
(3S)-7-chloro-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1081 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.11538 200.8
[M+Na]+ 456.09732 215.9
[M+NH4]+ 451.14192 209.1
[M+K]+ 472.07126 208.9
[M-H]- 432.10082 205.1
[M+Na-2H]- 454.08277 205.4
[M]+ 433.10755 204.5
[M]- 433.10865 204.5
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.