CID 65263146

1199776-90-3

Structural Information

Molecular Formula
C25H21NO4
SMILES
C1C(C2=CC=CC=C2CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C25H21NO4/c27-24(28)22-14-26(13-16-7-1-2-8-17(16)22)25(29)30-15-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h1-12,22-23H,13-15H2,(H,27,28)
InChIKey
NUOJTTAZVSDNDX-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.14706 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15434 194.6
[M+Na]+ 422.13628 200.2
[M-H]- 398.13978 200.6
[M+NH4]+ 417.18088 207.4
[M+K]+ 438.11022 194.3
[M+H-H2O]+ 382.14432 185.2
[M+HCOO]- 444.14526 208.0
[M+CH3COO]- 458.16091 202.8
[M+Na-2H]- 420.12173 195.3
[M]+ 399.14651 194.2
[M]- 399.14761 194.2
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.