CID 826852

22264-23-9

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₃

SMILES

C1=CC=C(C=C1)NN(C2=CC=CC=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C16H16N2O3/c19-15(11-12-16(20)21)18(14-9-5-2-6-10-14)17-13-7-3-1-4-8-13/h1-10,17H,11-12H2,(H,20,21)

InChIKey

IPLDYEAELGBFBT-UHFFFAOYSA-N

Compound name

4-(N-anilinoanilino)-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 284.1161 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.123376	165.0
[M+Na]+	307.105318	168.4
[M-H]-	283.108824	171.0
[M+NH4]+	302.149923	178.9
[M+K]+	323.079258	166.1
[M+H-H2O]+	267.113360	156.2
[M+HCOO]-	329.114301	188.7
[M+CH3COO]-	343.129951	204.5
[M+Na-2H]-	305.090766	169.1
[M]+	284.11555142	164.1
[M]-	284.11664858	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe