CID 13481174

103607-53-0

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CC(C)NCC(COC1=NC=CC(=C1C#N)NCC2=CC=CC=C2)O
InChI
InChI=1S/C19H24N4O2/c1-14(2)22-12-16(24)13-25-19-17(10-20)18(8-9-21-19)23-11-15-6-4-3-5-7-15/h3-9,14,16,22,24H,11-13H2,1-2H3,(H,21,23)
InChIKey
YGLXAOXMBNORSL-UHFFFAOYSA-N
Compound name
4-(benzylamino)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1899 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19718 186.2
[M+Na]+ 363.17912 195.9
[M+NH4]+ 358.22372 188.5
[M+K]+ 379.15306 186.4
[M-H]- 339.18262 181.9
[M+Na-2H]- 361.16457 189.3
[M]+ 340.18935 185.3
[M]- 340.19045 185.3
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.