CID 35479

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

Structural Information

Molecular Formula
C32H52N2O
SMILES
CCCCCCCN(CCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCCCCCCC
InChI
InChI=1S/C32H52N2O/c1-4-7-10-13-18-25-34(26-19-14-11-8-5-2)32(33)30-23-24-31(29-22-17-16-21-28(29)30)35-27-20-15-12-9-6-3/h16-17,21-24,33H,4-15,18-20,25-27H2,1-3H3
InChIKey
XPLLHVISFWECJR-UHFFFAOYSA-N
Compound name
4-heptoxy-N,N-diheptylnaphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.40796 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.41524 233.3
[M+Na]+ 503.39718 232.1
[M-H]- 479.40068 235.3
[M+NH4]+ 498.44178 242.0
[M+K]+ 519.37112 225.8
[M+H-H2O]+ 463.40522 222.4
[M+HCOO]- 525.40616 251.5
[M+CH3COO]- 539.42181 253.9
[M+Na-2H]- 501.38263 229.5
[M]+ 480.40741 240.3
[M]- 480.40851 240.3
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.