CID 103761234

1698108-29-0

Structural Information

Molecular Formula
C23H25NO4
SMILES
CC1(CCC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C
InChI
InChI=1S/C23H25NO4/c1-22(2)11-12-23(14-22,20(25)26)24-21(27)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19H,11-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKey
RNQQMALPCSWOSD-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.185616 192.1
[M+Na]+ 402.167558 198.3
[M-H]- 378.171064 199.2
[M+NH4]+ 397.212163 212.2
[M+K]+ 418.141498 193.5
[M+H-H2O]+ 362.175600 186.1
[M+HCOO]- 424.176541 210.1
[M+CH3COO]- 438.192191 217.2
[M+Na-2H]- 400.153006 192.5
[M]+ 379.17779142 192.9
[M]- 379.17888858 192.9
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.