CID 3018675

Einecs 278-540-3

Structural Information

Molecular Formula

C₁₄H₂₂N₂O

SMILES

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

InChI

InChI=1S/C14H22N2O/c1-4-8-14(17)15-12-9-7-10-13(11-12)16(5-2)6-3/h7,9-11H,4-6,8H2,1-3H3,(H,15,17)

InChIKey

CZGBOOOASWOIKL-UHFFFAOYSA-N

Compound name

N-[3-(diethylamino)phenyl]butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 234.17322 Da
Monoisotopic Mass: 2.9
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]+	235.180496	157.8
[M+Na]+	257.162438	162.4
[M-H]-	233.165944	162.2
[M+NH4]+	252.207043	175.8
[M+K]+	273.136378	161.1
[M+H-H2O]+	217.170480	150.4
[M+HCOO]-	279.171421	182.6
[M+CH3COO]-	293.187071	202.2
[M+Na-2H]-	255.147886	161.1
[M]+	234.17267142	159.6
[M]-	234.17376858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe