CID 3049178

64511-98-4

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1=CC=C(C(=C1)N)OCC(CN2C=CC(=N)C=C2)O
InChI
InChI=1S/C14H17N3O2/c15-11-5-7-17(8-6-11)9-12(18)10-19-14-4-2-1-3-13(14)16/h1-8,12,15,18H,9-10,16H2
InChIKey
LXBUFWSIYBMJGW-UHFFFAOYSA-N
Compound name
1-(2-aminophenoxy)-3-(4-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

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 158.4
[M+Na]+ 282.12130 164.5
[M-H]- 258.12480 162.0
[M+NH4]+ 277.16590 172.0
[M+K]+ 298.09524 160.1
[M+H-H2O]+ 242.12934 149.8
[M+HCOO]- 304.13028 181.0
[M+CH3COO]- 318.14593 198.2
[M+Na-2H]- 280.10675 163.2
[M]+ 259.13153 156.0
[M]- 259.13263 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.