CID 77151714

2138238-33-0

Structural Information

Molecular Formula
C23H25NO4
SMILES
C1CC(CC(C1)C(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO4/c25-22(26)16-7-5-6-15(12-16)13-24-23(27)28-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,15-16,21H,5-7,12-14H2,(H,24,27)(H,25,26)
InChIKey
JVVXKDJNOOYSOU-UHFFFAOYSA-N
Compound name
3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

379.17834 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 189.2
[M+Na]+ 402.16756 192.1
[M-H]- 378.17106 194.9
[M+NH4]+ 397.21216 203.0
[M+K]+ 418.14150 187.3
[M+H-H2O]+ 362.17560 181.2
[M+HCOO]- 424.17654 204.9
[M+CH3COO]- 438.19219 218.7
[M+Na-2H]- 400.15301 188.9
[M]+ 379.17779 186.8
[M]- 379.17889 186.8
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

patents stripe