CID 24699340

3-(pyridin-3-ylmethoxy)benzene-1-carboximidamide trihydrochloride

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1=CC(=CC(=C1)OCC2=CN=CC=C2)C(=N)N
InChI
InChI=1S/C13H13N3O/c14-13(15)11-4-1-5-12(7-11)17-9-10-3-2-6-16-8-10/h1-8H,9H2,(H3,14,15)
InChIKey
MBPBGANGNPZIAM-UHFFFAOYSA-N
Compound name
3-(pyridin-3-ylmethoxy)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.10587 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 149.9
[M+Na]+ 250.09509 156.2
[M-H]- 226.09859 154.8
[M+NH4]+ 245.13969 165.4
[M+K]+ 266.06903 152.2
[M+H-H2O]+ 210.10313 141.3
[M+HCOO]- 272.10407 174.2
[M+CH3COO]- 286.11972 194.1
[M+Na-2H]- 248.08054 156.6
[M]+ 227.10532 147.3
[M]- 227.10642 147.3
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.