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 185.2
[M+Na]+ 386.13628 193.1
[M-H]- 362.13978 191.5
[M+NH4]+ 381.18088 195.4
[M+K]+ 402.11022 186.6
[M+H-H2O]+ 346.14432 177.9
[M+HCOO]- 408.14526 198.6
[M+CH3COO]- 422.16091 194.0
[M+Na-2H]- 384.12173 185.6
[M]+ 363.14651 187.7
[M]- 363.14761 187.7
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.