CID 44733

N-benzyl-n-ethyl-4-methoxy-1-naphthamidine hydrochloride

Structural Information

Molecular Formula
C21H22N2O
SMILES
CCN(CC1=CC=CC=C1)C(=N)C2=CC=C(C3=CC=CC=C32)OC
InChI
InChI=1S/C21H22N2O/c1-3-23(15-16-9-5-4-6-10-16)21(22)19-13-14-20(24-2)18-12-8-7-11-17(18)19/h4-14,22H,3,15H2,1-2H3
InChIKey
XJPDUFUAHKDNBZ-UHFFFAOYSA-N
Compound name
N-benzyl-N-ethyl-4-methoxynaphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.17322 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 177.0
[M+Na]+ 341.16244 182.1
[M-H]- 317.16594 185.3
[M+NH4]+ 336.20704 192.0
[M+K]+ 357.13638 177.8
[M+H-H2O]+ 301.17048 167.7
[M+HCOO]- 363.17142 200.6
[M+CH3COO]- 377.18707 217.5
[M+Na-2H]- 339.14789 181.9
[M]+ 318.17267 177.8
[M]- 318.17377 177.8
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.