CID 17040193

1-(((((9h-fluoren-9-yl)methoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C23H25NO4
SMILES
C1CCC(CC1)(CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H25NO4/c25-21(26)23(12-6-1-7-13-23)15-24-22(27)28-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20H,1,6-7,12-15H2,(H,24,27)(H,25,26)
InChIKey
XCPORARHBOYMBL-UHFFFAOYSA-N
Compound name
1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

379.17834 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 190.6
[M+Na]+ 402.16756 193.8
[M-H]- 378.17106 196.2
[M+NH4]+ 397.21216 206.2
[M+K]+ 418.14150 189.0
[M+H-H2O]+ 362.17560 182.6
[M+HCOO]- 424.17654 206.3
[M+CH3COO]- 438.19219 216.9
[M+Na-2H]- 400.15301 192.0
[M]+ 379.17779 188.1
[M]- 379.17889 188.1
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