CID 35481

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

Structural Information

Molecular Formula
C34H56N2O
SMILES
CCCCCCCCN(CCCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCCCCCCC
InChI
InChI=1S/C34H56N2O/c1-4-7-10-13-15-20-27-36(28-21-16-14-11-8-5-2)34(35)32-25-26-33(31-24-19-18-23-30(31)32)37-29-22-17-12-9-6-3/h18-19,23-26,35H,4-17,20-22,27-29H2,1-3H3
InChIKey
ICHFZVQWTHCCMK-UHFFFAOYSA-N
Compound name
4-heptoxy-N,N-dioctylnaphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.43927 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.44655 242.0
[M+Na]+ 531.42849 239.8
[M-H]- 507.43199 243.6
[M+NH4]+ 526.47309 249.4
[M+K]+ 547.40243 233.1
[M+H-H2O]+ 491.43653 230.6
[M+HCOO]- 553.43747 259.4
[M+CH3COO]- 567.45312 259.7
[M+Na-2H]- 529.41394 237.1
[M]+ 508.43872 249.7
[M]- 508.43982 249.7
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.