CID 51387599

Fmoc-alpha-methyl-l-leucine

Structural Information

Molecular Formula
C22H25NO4
SMILES
CC(C)C[C@@](C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-14(2)12-22(3,20(24)25)23-21(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t22-/m0/s1
InChIKey
LKQDQIGTIVQHMG-QFIPXVFZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,4-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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 189.9
[M+Na]+ 390.16756 194.2
[M-H]- 366.17106 193.3
[M+NH4]+ 385.21216 204.8
[M+K]+ 406.14150 190.8
[M+H-H2O]+ 350.17560 183.6
[M+HCOO]- 412.17654 206.4
[M+CH3COO]- 426.19219 218.4
[M+Na-2H]- 388.15301 191.4
[M]+ 367.17779 192.6
[M]- 367.17889 192.6
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