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]+ 380.18562 192.1
[M+Na]+ 402.16756 198.3
[M-H]- 378.17106 199.2
[M+NH4]+ 397.21216 212.2
[M+K]+ 418.14150 193.5
[M+H-H2O]+ 362.17560 186.1
[M+HCOO]- 424.17654 210.1
[M+CH3COO]- 438.19219 217.2
[M+Na-2H]- 400.15301 192.5
[M]+ 379.17779 192.9
[M]- 379.17889 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.