CID 7019522

112883-42-8

Structural Information

Molecular Formula
C22H25NO4
SMILES
CCCC[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-3-4-13-20(21(24)25)23(2)22(26)27-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,3-4,13-14H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKey
RZZXDYZWHUAOEK-FQEVSTJZSA-N
Compound name
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

367.17834 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.185616 190.6
[M+Na]+ 390.167558 194.6
[M-H]- 366.171064 195.1
[M+NH4]+ 385.212163 205.9
[M+K]+ 406.141498 191.8
[M+H-H2O]+ 350.175600 183.2
[M+HCOO]- 412.176541 209.0
[M+CH3COO]- 426.192191 221.2
[M+Na-2H]- 388.153006 189.9
[M]+ 367.17779142 194.8
[M]- 367.17888858 194.8
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

patents stripe