CID 3039555

N,n-dibutylphepracet

Structural Information

Molecular Formula
C25H36N2O
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)CC(=O)NC(C)CC2=CC=CC=C2
InChI
InChI=1S/C25H36N2O/c1-4-6-17-27(18-7-5-2)24-15-13-23(14-16-24)20-25(28)26-21(3)19-22-11-9-8-10-12-22/h8-16,21H,4-7,17-20H2,1-3H3,(H,26,28)
InChIKey
BQSVRHIFUAUKFJ-UHFFFAOYSA-N
Compound name
2-[4-(dibutylamino)phenyl]-N-(1-phenylpropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.28278 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.29006 201.3
[M+Na]+ 403.27200 202.0
[M-H]- 379.27550 207.2
[M+NH4]+ 398.31660 212.5
[M+K]+ 419.24594 197.9
[M+H-H2O]+ 363.28004 191.0
[M+HCOO]- 425.28098 222.7
[M+CH3COO]- 439.29663 231.4
[M+Na-2H]- 401.25745 200.1
[M]+ 380.28223 203.7
[M]- 380.28333 203.7
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.