CID 13481182

103607-56-3

Structural Information

Molecular Formula
C19H24N4O3
SMILES
CC(C)NCC(COC1=NC=CC(=C1C#N)NC2=CC=C(C=C2)OC)O
InChI
InChI=1S/C19H24N4O3/c1-13(2)22-11-15(24)12-26-19-17(10-20)18(8-9-21-19)23-14-4-6-16(25-3)7-5-14/h4-9,13,15,22,24H,11-12H2,1-3H3,(H,21,23)
InChIKey
SPMQCCJXASECIB-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-(4-methoxyanilino)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.18484 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19212 187.9
[M+Na]+ 379.17406 197.5
[M+NH4]+ 374.21866 189.7
[M+K]+ 395.14800 188.7
[M-H]- 355.17756 183.2
[M+Na-2H]- 377.15951 190.4
[M]+ 356.18429 186.8
[M]- 356.18539 186.8
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.