CID 44150001

N-piperoylmethionine

Structural Information

Molecular Formula
C17H19NO5S
SMILES
CSCC[C@@H](C(=O)O)NC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C17H19NO5S/c1-24-9-8-13(17(20)21)18-16(19)5-3-2-4-12-6-7-14-15(10-12)23-11-22-14/h2-7,10,13H,8-9,11H2,1H3,(H,18,19)(H,20,21)/b4-2+,5-3+/t13-/m0/s1
InChIKey
ZMEXGNFMQHLDST-WSHDBJAUSA-N
Compound name
(2S)-2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0984 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10568 183.1
[M+Na]+ 372.08762 189.6
[M+NH4]+ 367.13222 187.6
[M+K]+ 388.06156 185.8
[M-H]- 348.09112 184.4
[M+Na-2H]- 370.07307 182.0
[M]+ 349.09785 184.3
[M]- 349.09895 184.3
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

No patent data available for this compound.