CID 132342289

2137738-72-6

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1C[C@@H]2C[C@@]2(N(C1)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C22H21NO4/c24-20(25)22-12-14(22)6-5-11-23(22)21(26)27-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19H,5-6,11-13H2,(H,24,25)/t14-,22+/m1/s1
InChIKey
VAOPUOOWIHHJOX-PEBXRYMYSA-N
Compound name
(1S,6R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[4.1.0]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 187.4
[M+Na]+ 386.13628 195.4
[M-H]- 362.13978 193.6
[M+NH4]+ 381.18088 199.2
[M+K]+ 402.11022 189.7
[M+H-H2O]+ 346.14432 180.1
[M+HCOO]- 408.14526 200.4
[M+CH3COO]- 422.16091 196.1
[M+Na-2H]- 384.12173 189.2
[M]+ 363.14651 189.8
[M]- 363.14761 189.8
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.