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]+ 304.23833 177.7
[M+Na]+ 326.22027 188.6
[M+NH4]+ 321.26487 184.3
[M+K]+ 342.19421 181.2
[M-H]- 302.22377 180.8
[M+Na-2H]- 324.20572 182.7
[M]+ 303.23050 179.9
[M]- 303.23160 179.9
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.