CID 57368835

1016731-81-9

Structural Information

Molecular Formula
C13H13N3O2
SMILES
C1=CC(=CC(=C1)OCC2=CN=CC=C2)C(=NO)N
InChI
InChI=1S/C13H13N3O2/c14-13(16-17)11-4-1-5-12(7-11)18-9-10-3-2-6-15-8-10/h1-8,17H,9H2,(H2,14,16)
InChIKey
NURLUQNEUQVVSN-UHFFFAOYSA-N
Compound name
N'-hydroxy-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 153.1
[M+Na]+ 266.08999 159.3
[M-H]- 242.09349 158.0
[M+NH4]+ 261.13459 167.8
[M+K]+ 282.06393 156.0
[M+H-H2O]+ 226.09803 144.2
[M+HCOO]- 288.09897 177.6
[M+CH3COO]- 302.11462 195.6
[M+Na-2H]- 264.07544 159.8
[M]+ 243.10022 151.7
[M]- 243.10132 151.7
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.