CID 3049176

64511-96-2

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1=CC=C(C(=C1)N)OCC(CN2C=CC=CC2=N)O
InChI
InChI=1S/C14H17N3O2/c15-12-5-1-2-6-13(12)19-10-11(18)9-17-8-4-3-7-14(17)16/h1-8,11,16,18H,9-10,15H2
InChIKey
PZTNQHKRWWIJOC-UHFFFAOYSA-N
Compound name
1-(2-aminophenoxy)-3-(2-imino-1-pyridinyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 158.4
[M+Na]+ 282.121298 164.5
[M-H]- 258.124804 162.0
[M+NH4]+ 277.165903 172.0
[M+K]+ 298.095238 160.1
[M+H-H2O]+ 242.129340 149.8
[M+HCOO]- 304.130281 181.0
[M+CH3COO]- 318.145931 198.2
[M+Na-2H]- 280.106746 163.2
[M]+ 259.13153142 156.0
[M]- 259.13262858 156.0
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.