CID 131752664

N-jasmonoyltyrosine

Structural Information

Molecular Formula
C21H27NO5
SMILES
CC/C=C/CC1C(CCC1=O)CC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C21H27NO5/c1-2-3-4-5-17-15(8-11-19(17)24)13-20(25)22-18(21(26)27)12-14-6-9-16(23)10-7-14/h3-4,6-7,9-10,15,17-18,23H,2,5,8,11-13H2,1H3,(H,22,25)(H,26,27)/b4-3+
InChIKey
SLWSWKGGZQCLDU-ONEGZZNKSA-N
Compound name
3-(4-hydroxyphenyl)-2-[[2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.18893 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19621 192.0
[M+Na]+ 396.17815 197.9
[M+NH4]+ 391.22275 195.3
[M+K]+ 412.15209 195.8
[M-H]- 372.18165 191.6
[M+Na-2H]- 394.16360 192.3
[M]+ 373.18838 192.0
[M]- 373.18948 192.0
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.