CID 19548

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

Structural Information

Molecular Formula
C26H40N2O
SMILES
CCCCCCCN(CCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OC
InChI
InChI=1S/C26H40N2O/c1-4-6-8-10-14-20-28(21-15-11-9-7-5-2)26(27)24-18-19-25(29-3)23-17-13-12-16-22(23)24/h12-13,16-19,27H,4-11,14-15,20-21H2,1-3H3
InChIKey
WHBCJCZYRNOBLR-UHFFFAOYSA-N
Compound name
N,N-diheptyl-4-methoxynaphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.31406 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.32134 206.7
[M+Na]+ 419.30328 208.2
[M-H]- 395.30678 210.1
[M+NH4]+ 414.34788 219.0
[M+K]+ 435.27722 203.3
[M+H-H2O]+ 379.31132 197.0
[M+HCOO]- 441.31226 227.1
[M+CH3COO]- 455.32791 236.5
[M+Na-2H]- 417.28873 206.1
[M]+ 396.31351 211.7
[M]- 396.31461 211.7
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.