CID 132350953

2137082-41-6

Structural Information

Molecular Formula
C23H25NO5
SMILES
C1CC(CCC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OCC(=O)O
InChI
InChI=1S/C23H25NO5/c25-22(26)14-28-16-11-9-15(10-12-16)24-23(27)29-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,24,27)(H,25,26)
InChIKey
OHEXMIDEHWZARW-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17328 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 191.4
[M+Na]+ 418.16250 194.0
[M-H]- 394.16600 197.0
[M+NH4]+ 413.20710 204.4
[M+K]+ 434.13644 190.1
[M+H-H2O]+ 378.17054 183.2
[M+HCOO]- 440.17148 207.2
[M+CH3COO]- 454.18713 220.9
[M+Na-2H]- 416.14795 191.4
[M]+ 395.17273 190.4
[M]- 395.17383 190.4
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.