CID 146683783

Laucysteinamide a

Structural Information

Molecular Formula
C23H38N2OS
SMILES
CC1=N[C@@H](CS1)/C=C/CCCCCCCCCCC(=O)N(C)/C=C/CC=C
InChI
InChI=1S/C23H38N2OS/c1-4-5-16-19-25(3)23(26)18-15-13-11-9-7-6-8-10-12-14-17-22-20-27-21(2)24-22/h4,14,16-17,19,22H,1,5-13,15,18,20H2,2-3H3/b17-14+,19-16+/t22-/m1/s1
InChIKey
AYRWEQNQZDTIDT-GIWCFZTQSA-N
Compound name
(E)-N-methyl-13-[(4R)-2-methyl-4,5-dihydro-1,3-thiazol-4-yl]-N-[(1E)-penta-1,4-dienyl]tridec-12-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.27048 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.27776 204.4
[M+Na]+ 413.25970 206.2
[M-H]- 389.26320 205.6
[M+NH4]+ 408.30430 217.4
[M+K]+ 429.23364 200.2
[M+H-H2O]+ 373.26774 195.5
[M+HCOO]- 435.26868 218.5
[M+CH3COO]- 449.28433 226.7
[M+Na-2H]- 411.24515 197.0
[M]+ 390.26993 210.1
[M]- 390.27103 210.1
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.