CID 132351072

2137568-86-4

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1C[C@@H]2[C@](C1)(CCN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C23H23NO4/c25-21(26)23-11-5-10-20(23)24(13-12-23)22(27)28-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19-20H,5,10-14H2,(H,25,26)/t20-,23+/m1/s1
InChIKey
HKXVCUUOGVBHSF-OFNKIYASSA-N
Compound name
(3aS,6aR)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 192.5
[M+Na]+ 400.15194 198.2
[M-H]- 376.15544 199.4
[M+NH4]+ 395.19654 212.0
[M+K]+ 416.12588 193.2
[M+H-H2O]+ 360.15998 186.3
[M+HCOO]- 422.16092 207.2
[M+CH3COO]- 436.17657 201.7
[M+Na-2H]- 398.13739 189.2
[M]+ 377.16217 192.2
[M]- 377.16327 192.2
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.