CID 53481025

L-cysteine, n-[(2e,6e,10e)-3,7,11,15-tetramethyl-1-oxo-2,6,10,14-hexadecatetraenyl]-

Structural Information

Molecular Formula
C23H37NO3S
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C(=O)N[C@@H](CS)C(=O)O)/C)/C)/C)C
InChI
InChI=1S/C23H37NO3S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-22(25)24-21(16-28)23(26)27/h9,11,13,15,21,28H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H,26,27)/b18-11+,19-13+,20-15+/t21-/m0/s1
InChIKey
UBCKUGRWFMEXIF-WONWMLGISA-N
Compound name
(2R)-3-sulfanyl-2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

407.24942 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.25670 206.4
[M+Na]+ 430.23864 208.3
[M+NH4]+ 425.28324 222.1
[M+K]+ 446.21258 220.4
[M-H]- 406.24214 201.4
[M+Na-2H]- 428.22409 201.5
[M]+ 407.24887 204.8
[M]- 407.24997 204.8
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

No patent data available for this compound.