CID 7016855

244227-60-9

Structural Information

Molecular Formula
C22H25NO4
SMILES
CCCC[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-2-3-8-15(13-21(24)25)23-22(26)27-14-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,15,20H,2-3,8,13-14H2,1H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKey
JLQPLDXCKOKHOY-HNNXBMFYSA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.17834 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.185616 190.0
[M+Na]+ 390.167558 193.9
[M-H]- 366.171064 193.0
[M+NH4]+ 385.212163 204.7
[M+K]+ 406.141498 189.8
[M+H-H2O]+ 350.175600 182.7
[M+HCOO]- 412.176541 208.0
[M+CH3COO]- 426.192191 218.0
[M+Na-2H]- 388.153006 190.2
[M]+ 367.17779142 193.0
[M]- 367.17888858 193.0
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.