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

2
Patents

246.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 159.9
[M+Na]+ 269.16244 165.0
[M-H]- 245.16594 164.7
[M+NH4]+ 264.20704 177.4
[M+K]+ 285.13638 161.7
[M+H-H2O]+ 229.17048 151.9
[M+HCOO]- 291.17142 181.0
[M+CH3COO]- 305.18707 196.7
[M+Na-2H]- 267.14789 160.7
[M]+ 246.17267 157.8
[M]- 246.17377 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe