CID 132350974

2138004-27-8

Structural Information

Molecular Formula
C25H20FNO4
SMILES
C1CN(CC2=C(C=CC(=C21)F)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H20FNO4/c26-23-10-9-20(24(28)29)21-13-27(12-11-19(21)23)25(30)31-14-22-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22/h1-10,22H,11-14H2,(H,28,29)
InChIKey
WAAPHZWFFVWDQP-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-5-fluoro-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.13763 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.14491 198.6
[M+Na]+ 440.12685 205.2
[M-H]- 416.13035 203.6
[M+NH4]+ 435.17145 210.9
[M+K]+ 456.10079 198.8
[M+H-H2O]+ 400.13489 188.4
[M+HCOO]- 462.13583 210.9
[M+CH3COO]- 476.15148 206.6
[M+Na-2H]- 438.11230 198.0
[M]+ 417.13708 197.7
[M]- 417.13818 197.7
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.