CID 165799393

2138229-82-8

Structural Information

Molecular Formula
C23H21NO4
SMILES
C1CC2C=C(CC1N2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C23H21NO4/c25-22(26)14-11-15-9-10-16(12-14)24(15)23(27)28-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,11,15-16,21H,9-10,12-13H2,(H,25,26)
InChIKey
YJJYHOPRNFPURM-UHFFFAOYSA-N
Compound name
8-(9H-fluoren-9-ylmethoxycarbonyl)-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15434 188.4
[M+Na]+ 398.13628 194.2
[M-H]- 374.13978 193.6
[M+NH4]+ 393.18088 205.0
[M+K]+ 414.11022 188.9
[M+H-H2O]+ 358.14432 181.4
[M+HCOO]- 420.14526 201.9
[M+CH3COO]- 434.16091 197.4
[M+Na-2H]- 396.12173 187.3
[M]+ 375.14651 189.1
[M]- 375.14761 189.1
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.