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]+ 364.154336 187.4
[M+Na]+ 386.136278 195.4
[M-H]- 362.139784 193.6
[M+NH4]+ 381.180883 199.2
[M+K]+ 402.110218 189.7
[M+H-H2O]+ 346.144320 180.1
[M+HCOO]- 408.145261 200.4
[M+CH3COO]- 422.160911 196.1
[M+Na-2H]- 384.121726 189.2
[M]+ 363.14651142 189.8
[M]- 363.14760858 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.