CID 2249983

172798-59-3

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC(=C(C(=O)NCCC(=O)O)NC(=O)C1=CC=CC=C1)C
InChI
InChI=1S/C15H18N2O4/c1-10(2)13(15(21)16-9-8-12(18)19)17-14(20)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)
InChIKey
ZQWUDIOCFORJQL-UHFFFAOYSA-N
Compound name
3-[(2-benzamido-3-methylbut-2-enoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12665 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 168.7
[M+Na]+ 313.11587 174.7
[M+NH4]+ 308.16047 172.3
[M+K]+ 329.08981 172.3
[M-H]- 289.11937 167.5
[M+Na-2H]- 311.10132 170.4
[M]+ 290.12610 168.4
[M]- 290.12720 168.4
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.