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]+ 380.18562 189.7
[M+Na]+ 402.16756 193.5
[M-H]- 378.17106 195.8
[M+NH4]+ 397.21216 203.8
[M+K]+ 418.14150 188.8
[M+H-H2O]+ 362.17560 181.9
[M+HCOO]- 424.17654 205.3
[M+CH3COO]- 438.19219 220.0
[M+Na-2H]- 400.15301 188.7
[M]+ 379.17779 187.7
[M]- 379.17889 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.