CID 35533

N,n-diheptyl-4-ethoxy-1-naphthamidine hydrochloride

Structural Information

Molecular Formula
C27H42N2O
SMILES
CCCCCCCN(CCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCC
InChI
InChI=1S/C27H42N2O/c1-4-7-9-11-15-21-29(22-16-12-10-8-5-2)27(28)25-19-20-26(30-6-3)24-18-14-13-17-23(24)25/h13-14,17-20,28H,4-12,15-16,21-22H2,1-3H3
InChIKey
CGAHVIKZANPJMF-UHFFFAOYSA-N
Compound name
4-ethoxy-N,N-diheptylnaphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.3297 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.33698 211.2
[M+Na]+ 433.31892 212.2
[M-H]- 409.32242 214.4
[M+NH4]+ 428.36352 222.8
[M+K]+ 449.29286 207.1
[M+H-H2O]+ 393.32696 201.3
[M+HCOO]- 455.32790 231.2
[M+CH3COO]- 469.34355 239.4
[M+Na-2H]- 431.30437 210.1
[M]+ 410.32915 216.5
[M]- 410.33025 216.5
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.