CID 1512557

178432-49-0

Structural Information

Molecular Formula
C25H21NO5
SMILES
C1[C@H](N(CC2=C1C=CC(=C2)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C25H21NO5/c27-17-10-9-15-12-23(24(28)29)26(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/h1-11,22-23,27H,12-14H2,(H,28,29)/t23-/m0/s1
InChIKey
ZBLZSUJEVZOPJV-QHCPKHFHSA-N
Compound name
(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.14197 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14925 197.0
[M+Na]+ 438.13119 202.8
[M-H]- 414.13469 202.1
[M+NH4]+ 433.17579 208.7
[M+K]+ 454.10513 197.2
[M+H-H2O]+ 398.13923 188.1
[M+HCOO]- 460.14017 209.0
[M+CH3COO]- 474.15582 204.8
[M+Na-2H]- 436.11664 197.1
[M]+ 415.14142 196.9
[M]- 415.14252 196.9
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.