CID 118309

36371-25-2

Structural Information

Molecular Formula
C18H29N3O
SMILES
CCCN1CCN(C(C1)C(=O)NC2=CC=CC=C2C)CCC
InChI
InChI=1S/C18H29N3O/c1-4-10-20-12-13-21(11-5-2)17(14-20)18(22)19-16-9-7-6-8-15(16)3/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22)
InChIKey
MCWZZPXTHUORIU-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-1,4-dipropylpiperazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.23105 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.238326 177.9
[M+Na]+ 326.220268 181.6
[M-H]- 302.223774 180.5
[M+NH4]+ 321.264873 189.9
[M+K]+ 342.194208 177.4
[M+H-H2O]+ 286.228310 168.1
[M+HCOO]- 348.229251 194.3
[M+CH3COO]- 362.244901 210.2
[M+Na-2H]- 324.205716 177.9
[M]+ 303.23050142 175.5
[M]- 303.23159858 175.5
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.