CID 6435492

N-piperoylphenylglycine

Structural Information

Molecular Formula
C20H17NO5
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C=C/C(=O)NC(C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C20H17NO5/c22-18(21-19(20(23)24)15-7-2-1-3-8-15)9-5-4-6-14-10-11-16-17(12-14)26-13-25-16/h1-12,19H,13H2,(H,21,22)(H,23,24)/b6-4+,9-5+
InChIKey
ZHLFLSLMOWPECD-REZHQCRGSA-N
Compound name
2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1107 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11798 183.7
[M+Na]+ 374.09992 187.6
[M-H]- 350.10342 190.4
[M+NH4]+ 369.14452 194.7
[M+K]+ 390.07386 185.3
[M+H-H2O]+ 334.10796 176.1
[M+HCOO]- 396.10890 201.4
[M+CH3COO]- 410.12455 210.3
[M+Na-2H]- 372.08537 185.4
[M]+ 351.11015 184.2
[M]- 351.11125 184.2
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.