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]+ 364.154336 185.2
[M+Na]+ 386.136278 193.1
[M-H]- 362.139784 191.5
[M+NH4]+ 381.180883 195.4
[M+K]+ 402.110218 186.6
[M+H-H2O]+ 346.144320 177.9
[M+HCOO]- 408.145261 198.6
[M+CH3COO]- 422.160911 194.0
[M+Na-2H]- 384.121726 185.6
[M]+ 363.14651142 187.7
[M]- 363.14760858 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.