CID 35531

4-butoxy-n,n-dioctyl-1-naphthamidine, hydrochloride

Structural Information

Molecular Formula
C31H50N2O
SMILES
CCCCCCCCN(CCCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCCCC
InChI
InChI=1S/C31H50N2O/c1-4-7-10-12-14-18-24-33(25-19-15-13-11-8-5-2)31(32)29-22-23-30(34-26-9-6-3)28-21-17-16-20-27(28)29/h16-17,20-23,32H,4-15,18-19,24-26H2,1-3H3
InChIKey
VCTGNBJFJIEUCS-UHFFFAOYSA-N
Compound name
4-butoxy-N,N-dioctylnaphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.3923 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.39958 228.3
[M+Na]+ 489.38152 237.2
[M+NH4]+ 484.42612 234.3
[M+K]+ 505.35546 226.2
[M-H]- 465.38502 231.9
[M+Na-2H]- 487.36697 230.9
[M]+ 466.39175 230.5
[M]- 466.39285 230.5
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.