CID 115501

63981-38-4

Structural Information

Molecular Formula
C18H29N3O
SMILES
CCN1CCN(C(C1)C(=O)NC2=C(C=C(C=C2C)C)C)CC
InChI
InChI=1S/C18H29N3O/c1-6-20-8-9-21(7-2)16(12-20)18(22)19-17-14(4)10-13(3)11-15(17)5/h10-11,16H,6-9,12H2,1-5H3,(H,19,22)
InChIKey
QIHMGULWDYWBCJ-UHFFFAOYSA-N
Compound name
1,4-diethyl-N-(2,4,6-trimethylphenyl)piperazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.23105 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.238326 178.0
[M+Na]+ 326.220268 183.7
[M-H]- 302.223774 181.5
[M+NH4]+ 321.264873 190.7
[M+K]+ 342.194208 179.6
[M+H-H2O]+ 286.228310 168.9
[M+HCOO]- 348.229251 194.4
[M+CH3COO]- 362.244901 212.7
[M+Na-2H]- 324.205716 176.6
[M]+ 303.23050142 176.6
[M]- 303.23159858 176.6
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.