CID 133052757

Dtxsid00891672

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CN(CCC(C1=CC=CC=C1)C2=CC=CC=N2)C(=O)CCC(=O)O
InChI
InChI=1S/C19H22N2O3/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/h2-9,13,16H,10-12,14H2,1H3,(H,23,24)
InChIKey
WVBWTLRAHFVIAJ-UHFFFAOYSA-N
Compound name
4-[methyl-(3-phenyl-3-pyridin-2-ylpropyl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.170336 179.0
[M+Na]+ 349.152278 181.6
[M-H]- 325.155784 183.1
[M+NH4]+ 344.196883 190.1
[M+K]+ 365.126218 179.0
[M+H-H2O]+ 309.160320 169.3
[M+HCOO]- 371.161261 198.3
[M+CH3COO]- 385.176911 211.8
[M+Na-2H]- 347.137726 180.2
[M]+ 326.16251142 179.8
[M]- 326.16360858 179.8
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.