CID 44733

1-naphthamidine, n-benzyl-n-ethyl-4-methoxy-, 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]+ 319.180496 177.0
[M+Na]+ 341.162438 182.1
[M-H]- 317.165944 185.3
[M+NH4]+ 336.207043 192.0
[M+K]+ 357.136378 177.8
[M+H-H2O]+ 301.170480 167.7
[M+HCOO]- 363.171421 200.6
[M+CH3COO]- 377.187071 217.5
[M+Na-2H]- 339.147886 181.9
[M]+ 318.17267142 177.8
[M]- 318.17376858 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.