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 184.4
[M+Na]+ 363.17912 189.6
[M-H]- 339.18262 186.1
[M+NH4]+ 358.22372 193.2
[M+K]+ 379.15306 184.9
[M+H-H2O]+ 323.18716 168.3
[M+HCOO]- 385.18810 200.8
[M+CH3COO]- 399.20375 225.1
[M+Na-2H]- 361.16457 185.7
[M]+ 340.18935 179.0
[M]- 340.19045 179.0
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.