CID 19561

N,n-dihexyl-4-heptyloxy-1-naphthamidine hydrochloride

Structural Information

Molecular Formula
C30H48N2O
SMILES
CCCCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)N(CCCCCC)CCCCCC
InChI
InChI=1S/C30H48N2O/c1-4-7-10-13-18-25-33-29-22-21-28(26-19-14-15-20-27(26)29)30(31)32(23-16-11-8-5-2)24-17-12-9-6-3/h14-15,19-22,31H,4-13,16-18,23-25H2,1-3H3
InChIKey
XTAXIDNCJNXYJH-UHFFFAOYSA-N
Compound name
4-heptoxy-N,N-dihexylnaphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.37668 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.38396 224.5
[M+Na]+ 475.36590 224.2
[M-H]- 451.36940 227.0
[M+NH4]+ 470.41050 234.4
[M+K]+ 491.33984 218.4
[M+H-H2O]+ 435.37394 214.0
[M+HCOO]- 497.37488 243.4
[M+CH3COO]- 511.39053 248.2
[M+Na-2H]- 473.35135 221.8
[M]+ 452.37613 230.9
[M]- 452.37723 230.9
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.