CID 32008

N-(p-methoxyphenyl)isonicotinamidine

Structural Information

Molecular Formula
C13H13N3O
SMILES
COC1=CC=C(C=C1)N=C(C2=CC=NC=C2)N
InChI
InChI=1S/C13H13N3O/c1-17-12-4-2-11(3-5-12)16-13(14)10-6-8-15-9-7-10/h2-9H,1H3,(H2,14,16)
InChIKey
IHSQITMFXQQHOU-UHFFFAOYSA-N
Compound name
N'-(4-methoxyphenyl)pyridine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.10587 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 150.1
[M+Na]+ 250.09509 156.9
[M-H]- 226.09859 156.4
[M+NH4]+ 245.13969 166.4
[M+K]+ 266.06903 153.8
[M+H-H2O]+ 210.10313 141.2
[M+HCOO]- 272.10407 175.9
[M+CH3COO]- 286.11972 195.9
[M+Na-2H]- 248.08054 157.2
[M]+ 227.10532 149.2
[M]- 227.10642 149.2
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.