CID 52093

Hg-1233

Structural Information

Molecular Formula

C₁₅H₂₂N₂O

SMILES

CC1=CC(=C(C=C1)C(=O)NCCN2CCCC2)C

InChI

InChI=1S/C15H22N2O/c1-12-5-6-14(13(2)11-12)15(18)16-7-10-17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)

InChIKey

LCIOQRDSSCEPPR-UHFFFAOYSA-N

Compound name

2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 246.17322 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]+	247.180496	159.9
[M+Na]+	269.162438	165.0
[M-H]-	245.165944	164.7
[M+NH4]+	264.207043	177.4
[M+K]+	285.136378	161.7
[M+H-H2O]+	229.170480	151.9
[M+HCOO]-	291.171421	181.0
[M+CH3COO]-	305.187071	196.7
[M+Na-2H]-	267.147886	160.7
[M]+	246.17267142	157.8
[M]-	246.17376858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe