CID 52982914

1233025-96-1

Structural Information

Molecular Formula
C26H23NO5
SMILES
COC1=CC2=C(CN(CC2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C=C1
InChI
InChI=1S/C26H23NO5/c1-31-17-11-10-16-13-27(14-23(25(28)29)22(16)12-17)26(30)32-15-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-12,23-24H,13-15H2,1H3,(H,28,29)
InChIKey
DSYPAGRDOKEPBN-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.15762 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.164896 202.1
[M+Na]+ 452.146838 207.8
[M-H]- 428.150344 208.3
[M+NH4]+ 447.191443 213.8
[M+K]+ 468.120778 202.7
[M+H-H2O]+ 412.154880 192.6
[M+HCOO]- 474.155821 215.2
[M+CH3COO]- 488.171471 210.0
[M+Na-2H]- 450.132286 201.9
[M]+ 429.15707142 203.9
[M]- 429.15816858 203.9
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.