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 228.9
[M+Na]+ 489.38152 228.1
[M-H]- 465.38502 231.2
[M+NH4]+ 484.42612 238.2
[M+K]+ 505.35546 222.1
[M+H-H2O]+ 449.38956 218.2
[M+HCOO]- 511.39050 247.5
[M+CH3COO]- 525.40615 251.1
[M+Na-2H]- 487.36697 225.7
[M]+ 466.39175 235.6
[M]- 466.39285 235.6
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.