CID 7016855

(s)-3-(9h-fluoren-9-ylmethoxycarbonylamino)-heptanoic acid

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]+ 368.18562 189.2
[M+Na]+ 390.16756 198.3
[M+NH4]+ 385.21216 195.4
[M+K]+ 406.14150 194.0
[M-H]- 366.17106 190.3
[M+Na-2H]- 388.15301 191.2
[M]+ 367.17779 190.4
[M]- 367.17889 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.