CID 77374

3761-48-6

Structural Information

Molecular Formula

C₁₄H₂₃N₃O₂

SMILES

CCN(CC)CCNC(=O)C1=C(C=C(C=C1)N)OC

InChI

InChI=1S/C14H23N3O2/c1-4-17(5-2)9-8-16-14(18)12-7-6-11(15)10-13(12)19-3/h6-7,10H,4-5,8-9,15H2,1-3H3,(H,16,18)

InChIKey

AQOCQFLDHPSJLR-UHFFFAOYSA-N

Compound name

4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 265.17902 Da
Monoisotopic Mass: 1.4
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]+	266.186296	164.7
[M+Na]+	288.168238	169.3
[M-H]-	264.171744	168.9
[M+NH4]+	283.212843	181.0
[M+K]+	304.142178	168.3
[M+H-H2O]+	248.176280	156.8
[M+HCOO]-	310.177221	190.1
[M+CH3COO]-	324.192871	210.0
[M+Na-2H]-	286.153686	166.6
[M]+	265.17847142	166.6
[M]-	265.17956858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe