CID 2761616

270062-99-2

Structural Information

Molecular Formula
C26H23NO4
SMILES
C1[C@H](N(CC2=CC=CC=C21)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CC(=O)O
InChI
InChI=1S/C26H23NO4/c28-25(29)14-19-13-17-7-1-2-8-18(17)15-27(19)26(30)31-16-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h1-12,19,24H,13-16H2,(H,28,29)/t19-/m0/s1
InChIKey
ZYNHEOMLCMDTDW-IBGZPJMESA-N
Compound name
2-[(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

413.16272 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17000 200.0
[M+Na]+ 436.15194 213.5
[M+NH4]+ 431.19654 207.8
[M+K]+ 452.12588 207.1
[M-H]- 412.15544 204.0
[M+Na-2H]- 434.13739 204.3
[M]+ 413.16217 203.0
[M]- 413.16327 203.0
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

patents stripe