CID 7015835

Fmoc-n-me-leu-oh

Structural Information

Molecular Formula
C22H25NO4
SMILES
CC(C)C[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-14(2)12-20(21(24)25)23(3)22(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,12-13H2,1-3H3,(H,24,25)/t20-/m0/s1
InChIKey
BUJQSIPFDWLNDC-FQEVSTJZSA-N
Compound name
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

329
Patents

367.17834 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 187.4
[M+Na]+ 390.16756 196.3
[M+NH4]+ 385.21216 193.8
[M+K]+ 406.14150 193.4
[M-H]- 366.17106 188.6
[M+Na-2H]- 388.15301 189.5
[M]+ 367.17779 188.7
[M]- 367.17889 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe