CID 103906

51560-72-6

Structural Information

Molecular Formula
C15H24N4O2
SMILES
CC1=CC(=NC(=C1C#N)NCCCOC)NCCCOC
InChI
InChI=1S/C15H24N4O2/c1-12-10-14(17-6-4-8-20-2)19-15(13(12)11-16)18-7-5-9-21-3/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKey
PDHMWWBAQJNDIP-UHFFFAOYSA-N
Compound name
2,6-bis(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

292.1899 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19718 165.5
[M+Na]+ 315.17912 172.5
[M-H]- 291.18262 166.6
[M+NH4]+ 310.22372 177.8
[M+K]+ 331.15306 170.2
[M+H-H2O]+ 275.18716 150.6
[M+HCOO]- 337.18810 185.3
[M+CH3COO]- 351.20375 220.0
[M+Na-2H]- 313.16457 168.9
[M]+ 292.18935 164.6
[M]- 292.19045 164.6
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

patents stripe