CID 1747704

172798-60-6

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CC(=C(C(=O)NCCCC(=O)O)NC(=O)C1=CC=CC=C1)C
InChI
InChI=1S/C16H20N2O4/c1-11(2)14(16(22)17-10-6-9-13(19)20)18-15(21)12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,17,22)(H,18,21)(H,19,20)
InChIKey
SNXZEOKEUUSIKS-UHFFFAOYSA-N
Compound name
4-[(2-benzamido-3-methylbut-2-enoyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

304.1423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 173.0
[M+Na]+ 327.13152 178.8
[M+NH4]+ 322.17612 176.5
[M+K]+ 343.10546 176.2
[M-H]- 303.13502 171.8
[M+Na-2H]- 325.11697 174.5
[M]+ 304.14175 172.7
[M]- 304.14285 172.7
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

patents stripe