CID 134753270

Dtxsid40891671

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CN(CCC(C1=CC=CC=C1)C2=CC=CC=N2)C(=O)/C=C/C(=O)O
InChI
InChI=1S/C19H20N2O3/c1-21(18(22)10-11-19(23)24)14-12-16(15-7-3-2-4-8-15)17-9-5-6-13-20-17/h2-11,13,16H,12,14H2,1H3,(H,23,24)/b11-10+
InChIKey
NQGDWANJMZMGLN-ZHACJKMWSA-N
Compound name
(E)-4-[methyl-(3-phenyl-3-pyridin-2-ylpropyl)amino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.154676 178.1
[M+Na]+ 347.136618 181.1
[M-H]- 323.140124 182.3
[M+NH4]+ 342.181223 189.3
[M+K]+ 363.110558 177.9
[M+H-H2O]+ 307.144660 168.5
[M+HCOO]- 369.145601 197.6
[M+CH3COO]- 383.161251 210.3
[M+Na-2H]- 345.122066 179.3
[M]+ 324.14685142 178.1
[M]- 324.14794858 178.1
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

No patent data available for this compound.