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 177.9
[M+Na]+ 326.22027 181.6
[M-H]- 302.22377 180.5
[M+NH4]+ 321.26487 189.9
[M+K]+ 342.19421 177.4
[M+H-H2O]+ 286.22831 168.1
[M+HCOO]- 348.22925 194.3
[M+CH3COO]- 362.24490 210.2
[M+Na-2H]- 324.20572 177.9
[M]+ 303.23050 175.5
[M]- 303.23160 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.