CID 3070018

85606-01-5

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]+ 276.089826 162.4
[M+Na]+ 298.071768 171.4
[M-H]- 274.075274 169.0
[M+NH4]+ 293.116373 178.2
[M+K]+ 314.045708 166.4
[M+H-H2O]+ 258.079810 154.3
[M+HCOO]- 320.080751 183.2
[M+CH3COO]- 334.096401 205.0
[M+Na-2H]- 296.057216 166.8
[M]+ 275.08200142 164.9
[M]- 275.08309858 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.