CID 118313

36371-28-5

Structural Information

Molecular Formula
C19H31N3O
SMILES
CCCN1CCN(C(C1)C(=O)NC2=C(C=CC=C2C)C)CCC
InChI
InChI=1S/C19H31N3O/c1-5-10-21-12-13-22(11-6-2)17(14-21)19(23)20-18-15(3)8-7-9-16(18)4/h7-9,17H,5-6,10-14H2,1-4H3,(H,20,23)
InChIKey
URXCMQIGLFFHEU-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-1,4-dipropylpiperazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.2467 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.25398 182.4
[M+Na]+ 340.23592 186.7
[M-H]- 316.23942 185.3
[M+NH4]+ 335.28052 194.2
[M+K]+ 356.20986 182.3
[M+H-H2O]+ 300.24396 172.7
[M+HCOO]- 362.24490 198.5
[M+CH3COO]- 376.26055 214.4
[M+Na-2H]- 338.22137 181.2
[M]+ 317.24615 180.9
[M]- 317.24725 180.9
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.