CID 139022417

2287302-33-2

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1CC2C(C2C(=O)O)C(C1)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H23NO4/c25-22(26)21-17-10-5-11-19(20(17)21)24-23(27)28-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9,17-21H,5,10-12H2,(H,24,27)(H,25,26)
InChIKey
USBGSZDJNULCRW-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[4.1.0]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 181.9
[M+Na]+ 400.15194 188.6
[M-H]- 376.15544 189.3
[M+NH4]+ 395.19654 192.6
[M+K]+ 416.12588 182.4
[M+H-H2O]+ 360.15998 175.5
[M+HCOO]- 422.16092 197.3
[M+CH3COO]- 436.17657 190.8
[M+Na-2H]- 398.13739 183.3
[M]+ 377.16217 183.9
[M]- 377.16327 183.9
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.