CID 136560020

2137618-36-9

Structural Information

Molecular Formula
C23H25NO4
SMILES
CC1CCC(CC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H25NO4/c1-14-10-11-15(22(25)26)12-21(14)24-23(27)28-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,14-15,20-21H,10-13H2,1H3,(H,24,27)(H,25,26)
InChIKey
VFQIPWNLOUNKEF-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.185616 189.7
[M+Na]+ 402.167558 193.5
[M-H]- 378.171064 195.8
[M+NH4]+ 397.212163 203.8
[M+K]+ 418.141498 188.8
[M+H-H2O]+ 362.175600 181.9
[M+HCOO]- 424.176541 205.3
[M+CH3COO]- 438.192191 220.0
[M+Na-2H]- 400.153006 188.7
[M]+ 379.17779142 187.7
[M]- 379.17888858 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.