CID 7019522

Fmoc-n-me-nle-oh

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

56
Patents

367.17834 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 190.6
[M+Na]+ 390.16756 194.6
[M-H]- 366.17106 195.1
[M+NH4]+ 385.21216 205.9
[M+K]+ 406.14150 191.8
[M+H-H2O]+ 350.17560 183.2
[M+HCOO]- 412.17654 209.0
[M+CH3COO]- 426.19219 221.2
[M+Na-2H]- 388.15301 189.9
[M]+ 367.17779 194.8
[M]- 367.17889 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