CID 176472483

3-[n-ethyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]propanoic acid

Structural Information

Molecular Formula

C₁₇H₂₀N₄O₃

SMILES

CCN(CCC(=O)O)C1=CC=C(C=C1)NNC2=CC=C(C=C2)N=O

InChI

InChI=1S/C17H20N4O3/c1-2-21(12-11-17(22)23)16-9-7-14(8-10-16)19-18-13-3-5-15(20-24)6-4-13/h3-10,18-19H,2,11-12H2,1H3,(H,22,23)

InChIKey

BAFLYDYPHSEPPY-UHFFFAOYSA-N

Compound name

3-[N-ethyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 328.15353 Da
Monoisotopic Mass: 3.1
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]+	329.160806	175.0
[M+Na]+	351.142748	178.6
[M-H]-	327.146254	182.7
[M+NH4]+	346.187353	187.7
[M+K]+	367.116688	176.8
[M+H-H2O]+	311.150790	165.1
[M+HCOO]-	373.151731	202.8
[M+CH3COO]-	387.167381	222.6
[M+Na-2H]-	349.128196	179.9
[M]+	328.15298142	176.4
[M]-	328.15407858	176.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.