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 186.8
[M+Na]+ 379.17406 192.5
[M-H]- 355.17756 188.8
[M+NH4]+ 374.21866 195.2
[M+K]+ 395.14800 188.8
[M+H-H2O]+ 339.18210 170.7
[M+HCOO]- 401.18304 203.4
[M+CH3COO]- 415.19869 228.2
[M+Na-2H]- 377.15951 187.5
[M]+ 356.18429 183.0
[M]- 356.18539 183.0
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.