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]+ 353.25874 192.6
[M+Na]+ 375.24068 193.0
[M-H]- 351.24418 198.6
[M+NH4]+ 370.28528 204.6
[M+K]+ 391.21462 189.9
[M+H-H2O]+ 335.24872 182.7
[M+HCOO]- 397.24966 213.7
[M+CH3COO]- 411.26531 225.2
[M+Na-2H]- 373.22613 192.0
[M]+ 352.25091 193.3
[M]- 352.25201 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.