CID 56423

92492-94-9

Structural Information

Molecular Formula

C₁₄H₂₂N₂O

SMILES

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

InChI

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

InChIKey

ISHHSJXZUSKYBZ-UHFFFAOYSA-N

Compound name

2-anilino-N,N-diethylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.17322 Da
Monoisotopic Mass: 3.1
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]+	235.18050	158.6
[M+Na]+	257.16244	162.1
[M-H]-	233.16594	162.8
[M+NH4]+	252.20704	176.2
[M+K]+	273.13638	161.2
[M+H-H2O]+	217.17048	151.1
[M+HCOO]-	279.17142	182.5
[M+CH3COO]-	293.18707	201.9
[M+Na-2H]-	255.14789	161.4
[M]+	234.17267	159.5
[M]-	234.17377	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe