CID 3070018

N-(p-chlorophenyl)-2-methoxy-6-methylnicotinamidine

Structural Information

Molecular Formula
C14H14ClN3O
SMILES
CC1=NC(=C(C=C1)C(=NC2=CC=C(C=C2)Cl)N)OC
InChI
InChI=1S/C14H14ClN3O/c1-9-3-8-12(14(17-9)19-2)13(16)18-11-6-4-10(15)5-7-11/h3-8H,1-2H3,(H2,16,18)
InChIKey
LKAJENFEMZPFEX-UHFFFAOYSA-N
Compound name
N'-(4-chlorophenyl)-2-methoxy-6-methylpyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.08255 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08983 162.4
[M+Na]+ 298.07177 171.4
[M-H]- 274.07527 169.0
[M+NH4]+ 293.11637 178.2
[M+K]+ 314.04571 166.4
[M+H-H2O]+ 258.07981 154.3
[M+HCOO]- 320.08075 183.2
[M+CH3COO]- 334.09640 205.0
[M+Na-2H]- 296.05722 166.8
[M]+ 275.08200 164.9
[M]- 275.08310 164.9
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.