CID 299748

P-(dimethylamino)-methyleneamino benzoic acid, 2-dimethylaminoethyl ester

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₂

SMILES

CN(C)CCOC(=O)C1=CC=C(C=C1)N=CN(C)C

InChI

InChI=1S/C14H21N3O2/c1-16(2)9-10-19-14(18)12-5-7-13(8-6-12)15-11-17(3)4/h5-8,11H,9-10H2,1-4H3

InChIKey

CSUSIJQHLPHOAO-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 4-(dimethylaminomethylideneamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.1634 Da
Monoisotopic Mass: 1.7
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]+	264.170676	163.6
[M+Na]+	286.152618	168.2
[M-H]-	262.156124	170.9
[M+NH4]+	281.197223	181.3
[M+K]+	302.126558	169.2
[M+H-H2O]+	246.160660	155.1
[M+HCOO]-	308.161601	191.9
[M+CH3COO]-	322.177251	213.8
[M+Na-2H]-	284.138066	167.0
[M]+	263.16285142	168.5
[M]-	263.16394858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe