CID 3024738

Crl 41224

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

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

InChI

InChI=1S/C13H18N2O2/c1-4-14-9(2)13(17)11-5-7-12(8-6-11)15-10(3)16/h5-9,14H,4H2,1-3H3,(H,15,16)

InChIKey

VHAAIKXIRRLVAP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 234.13683 Da
Monoisotopic Mass: 1.2
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	155.8
[M+Na]+	257.12605	164.8
[M+NH4]+	252.17065	162.2
[M+K]+	273.09999	160.1
[M-H]-	233.12955	157.4
[M+Na-2H]-	255.11150	160.3
[M]+	234.13628	157.1
[M]-	234.13738	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe