CID 118330

36478-01-0

Structural Information

Molecular Formula
C21H35N3O
SMILES
CCCCN1CCN(C(C1)C(=O)NC2=C(C=CC=C2C)C)CCCC
InChI
InChI=1S/C21H35N3O/c1-5-7-12-23-14-15-24(13-8-6-2)19(16-23)21(25)22-20-17(3)10-9-11-18(20)4/h9-11,19H,5-8,12-16H2,1-4H3,(H,22,25)
InChIKey
SKJYXFYNQICALD-UHFFFAOYSA-N
Compound name
1,4-dibutyl-N-(2,6-dimethylphenyl)piperazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.278 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.28528 191.2
[M+Na]+ 368.26722 194.6
[M-H]- 344.27072 193.7
[M+NH4]+ 363.31182 201.8
[M+K]+ 384.24116 189.7
[M+H-H2O]+ 328.27526 181.1
[M+HCOO]- 390.27620 206.6
[M+CH3COO]- 404.29185 220.3
[M+Na-2H]- 366.25267 188.9
[M]+ 345.27745 190.4
[M]- 345.27855 190.4
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.