CID 12353769

4-(2,2-dicyanovinyl)-n-bis(hydroxyethyl)aniline

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

C1=CC(=CC=C1C=C(C#N)C#N)N(CCO)CCO

InChI

InChI=1S/C14H15N3O2/c15-10-13(11-16)9-12-1-3-14(4-2-12)17(5-7-18)6-8-19/h1-4,9,18-19H,5-8H2

InChIKey

CYBYVNMREDBMAT-UHFFFAOYSA-N

Compound name

2-[[4-[bis(2-hydroxyethyl)amino]phenyl]methylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 257.11642 Da
Monoisotopic Mass: 0.7
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]+	258.123696	171.0
[M+Na]+	280.105638	178.4
[M-H]-	256.109144	172.9
[M+NH4]+	275.150243	181.1
[M+K]+	296.079578	174.9
[M+H-H2O]+	240.113680	155.3
[M+HCOO]-	302.114621	181.8
[M+CH3COO]-	316.130271	224.0
[M+Na-2H]-	278.091086	170.6
[M]+	257.11587142	162.6
[M]-	257.11696858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe