CID 45903

1-naphthamidine, n-ethyl-4-methoxy-n-(o-tolyl)-, hydrochloride

Structural Information

Molecular Formula
C21H22N2O
SMILES
CCN(C1=CC=CC=C1C)C(=N)C2=CC=C(C3=CC=CC=C32)OC
InChI
InChI=1S/C21H22N2O/c1-4-23(19-12-8-5-9-15(19)2)21(22)18-13-14-20(24-3)17-11-7-6-10-16(17)18/h5-14,22H,4H2,1-3H3
InChIKey
ATWMQEQEGAPVMM-UHFFFAOYSA-N
Compound name
N-ethyl-4-methoxy-N-(2-methylphenyl)naphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.17322 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.180496 177.3
[M+Na]+ 341.162438 183.3
[M-H]- 317.165944 186.0
[M+NH4]+ 336.207043 192.6
[M+K]+ 357.136378 179.1
[M+H-H2O]+ 301.170480 168.1
[M+HCOO]- 363.171421 200.9
[M+CH3COO]- 377.187071 218.8
[M+Na-2H]- 339.147886 181.4
[M]+ 318.17267142 178.5
[M]- 318.17376858 178.5
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.