CID 63405026

1342631-07-5

Structural Information

Molecular Formula
C23H25NO4
SMILES
CC1CCCCC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO4/c1-15-8-6-7-13-23(15,21(25)26)24-22(27)28-14-20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20/h2-5,9-12,15,20H,6-8,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKey
YGBJSIBWMAKQPS-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 190.7
[M+Na]+ 402.16756 194.8
[M-H]- 378.17106 196.7
[M+NH4]+ 397.21216 206.6
[M+K]+ 418.14150 190.1
[M+H-H2O]+ 362.17560 183.0
[M+HCOO]- 424.17654 206.3
[M+CH3COO]- 438.19219 218.2
[M+Na-2H]- 400.15301 191.4
[M]+ 379.17779 188.7
[M]- 379.17889 188.7
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.