CID 39345628

1212223-66-9

Structural Information

Molecular Formula
C23H21NO4
SMILES
C1[C@@H]2C=C[C@H]1[C@@H]([C@@H]2C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H21NO4/c25-22(26)20-13-9-10-14(11-13)21(20)24-23(27)28-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13-14,19-21H,11-12H2,(H,24,27)(H,25,26)/t13-,14+,20+,21-/m0/s1
InChIKey
CGUNSQHMOYCPJU-HLNGLMCHSA-N
Compound name
(1R,2R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.14706 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15434 187.6
[M+Na]+ 398.13628 193.3
[M-H]- 374.13978 194.9
[M+NH4]+ 393.18088 207.2
[M+K]+ 414.11022 188.5
[M+H-H2O]+ 358.14432 182.9
[M+HCOO]- 420.14526 205.8
[M+CH3COO]- 434.16091 197.6
[M+Na-2H]- 396.12173 186.0
[M]+ 375.14651 189.7
[M]- 375.14761 189.7
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.