CID 115499

63981-37-3

Structural Information

Molecular Formula
C20H33N3O
SMILES
CCCCN1CCN(C(C1)(C)C(=O)NC2=CC=CC=C2)CCCC
InChI
InChI=1S/C20H33N3O/c1-4-6-13-22-15-16-23(14-7-5-2)20(3,17-22)19(24)21-18-11-9-8-10-12-18/h8-12H,4-7,13-17H2,1-3H3,(H,21,24)
InChIKey
XDZCQRVRQJEPPA-UHFFFAOYSA-N
Compound name
1,4-dibutyl-2-methyl-N-phenylpiperazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.26236 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.26964 185.2
[M+Na]+ 354.25158 188.1
[M-H]- 330.25508 187.4
[M+NH4]+ 349.29618 197.8
[M+K]+ 370.22552 183.9
[M+H-H2O]+ 314.25962 175.4
[M+HCOO]- 376.26056 201.0
[M+CH3COO]- 390.27621 214.4
[M+Na-2H]- 352.23703 186.1
[M]+ 331.26181 183.5
[M]- 331.26291 183.5
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.