CID 89619

Diethylamino-3-(propionylamino)benzene

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

CCC(=O)NC1=CC(=CC=C1)N(CC)CC

InChI

InChI=1S/C13H20N2O/c1-4-13(16)14-11-8-7-9-12(10-11)15(5-2)6-3/h7-10H,4-6H2,1-3H3,(H,14,16)

InChIKey

WEAJAFRCXNDNBY-UHFFFAOYSA-N

Compound name

N-[3-(diethylamino)phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 36
Patents: 220.15756 Da
Monoisotopic Mass: 2.5
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]+	221.164836	153.1
[M+Na]+	243.146778	158.2
[M-H]-	219.150284	157.8
[M+NH4]+	238.191383	171.7
[M+K]+	259.120718	157.1
[M+H-H2O]+	203.154820	145.9
[M+HCOO]-	265.155761	178.3
[M+CH3COO]-	279.171411	199.1
[M+Na-2H]-	241.132226	157.0
[M]+	220.15701142	154.6
[M]-	220.15810858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe