CID 35535

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

Structural Information

Molecular Formula
C28H44N2O
SMILES
CCCCCCCN(CCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCCC
InChI
InChI=1S/C28H44N2O/c1-4-7-9-11-15-21-30(22-16-12-10-8-5-2)28(29)26-19-20-27(31-23-6-3)25-18-14-13-17-24(25)26/h13-14,17-20,29H,4-12,15-16,21-23H2,1-3H3
InChIKey
VCNYVZDVHBMVMR-UHFFFAOYSA-N
Compound name
N,N-diheptyl-4-propoxynaphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.34537 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.35265 215.7
[M+Na]+ 447.33459 216.2
[M-H]- 423.33809 218.6
[M+NH4]+ 442.37919 226.7
[M+K]+ 463.30853 210.9
[M+H-H2O]+ 407.34263 205.5
[M+HCOO]- 469.34357 235.3
[M+CH3COO]- 483.35922 242.3
[M+Na-2H]- 445.32004 214.0
[M]+ 424.34482 221.4
[M]- 424.34592 221.4
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.