CID 3066342

2,3-dipiperidino-o-propionotoluidide dihydrochloride

Structural Information

Molecular Formula
C20H31N3O
SMILES
CC1=CC=CC=C1NC(=O)C(CN2CCCCC2)N3CCCCC3
InChI
InChI=1S/C20H31N3O/c1-17-10-4-5-11-18(17)21-20(24)19(23-14-8-3-9-15-23)16-22-12-6-2-7-13-22/h4-5,10-11,19H,2-3,6-9,12-16H2,1H3,(H,21,24)
InChIKey
XYQIYOBZFNBSMH-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-2,3-di(piperidin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.2467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.25398 182.9
[M+Na]+ 352.23592 181.6
[M-H]- 328.23942 186.8
[M+NH4]+ 347.28052 192.1
[M+K]+ 368.20986 177.4
[M+H-H2O]+ 312.24396 171.4
[M+HCOO]- 374.24490 194.6
[M+CH3COO]- 388.26055 211.7
[M+Na-2H]- 350.22137 181.7
[M]+ 329.24615 172.8
[M]- 329.24725 172.8
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

No patent data available for this compound.