CID 3024740

Crl 41232

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)N(C)C

InChI

InChI=1S/C13H18N2O2/c1-9(15(3)4)13(17)11-5-7-12(8-6-11)14-10(2)16/h5-9H,1-4H3,(H,14,16)

InChIKey

DTXWMICFAARKCY-UHFFFAOYSA-N

Compound name

N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 234.13683 Da
Monoisotopic Mass: 1.3
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]+	235.14411	155.3
[M+Na]+	257.12605	164.5
[M+NH4]+	252.17065	161.9
[M+K]+	273.09999	160.3
[M-H]-	233.12955	157.2
[M+Na-2H]-	255.11150	160.1
[M]+	234.13628	156.8
[M]-	234.13738	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe