CID 3071441

N-(dibenzylaminomethyl)valnoctamide hydrochloride

Structural Information

Molecular Formula
C23H32N2O
SMILES
CCC(C)C(CC)C(=O)NCN(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C23H32N2O/c1-4-19(3)22(5-2)23(26)24-18-25(16-20-12-8-6-9-13-20)17-21-14-10-7-11-15-21/h6-15,19,22H,4-5,16-18H2,1-3H3,(H,24,26)
InChIKey
YYXZIYHTIASNBJ-UHFFFAOYSA-N
Compound name
N-[(dibenzylamino)methyl]-2-ethyl-3-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.25146 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.258736 192.6
[M+Na]+ 375.240678 193.0
[M-H]- 351.244184 198.6
[M+NH4]+ 370.285283 204.6
[M+K]+ 391.214618 189.9
[M+H-H2O]+ 335.248720 182.7
[M+HCOO]- 397.249661 213.7
[M+CH3COO]- 411.265311 225.2
[M+Na-2H]- 373.226126 192.0
[M]+ 352.25091142 193.3
[M]- 352.25200858 193.3
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.