CID 154575253

2137578-42-6

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1CN(C[C@H]2[C@@H]1[C@H]2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H21NO4/c24-21(25)20-17-9-10-23(11-18(17)20)22(26)27-12-19-15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-8,17-20H,9-12H2,(H,24,25)/t17-,18+,20-/m1/s1
InChIKey
JKXFSIRXKZELBS-WSTZPKSXSA-N
Compound name
(1S,6R,7R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 186.6
[M+Na]+ 386.13628 200.2
[M+NH4]+ 381.18088 195.2
[M+K]+ 402.11022 196.2
[M-H]- 362.13978 196.5
[M+Na-2H]- 384.12173 191.8
[M]+ 363.14651 192.4
[M]- 363.14761 192.4
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.