CID 660957

Brn 5439306

Structural Information

Molecular Formula
C13H18N4O
SMILES
CC1=CC(=C(C(=N1)N2CCOCC2)C#N)N(C)C
InChI
InChI=1S/C13H18N4O/c1-10-8-12(16(2)3)11(9-14)13(15-10)17-4-6-18-7-5-17/h8H,4-7H2,1-3H3
InChIKey
MJLFWMQXQFGEIQ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

246.14806 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 153.9
[M+Na]+ 269.13728 161.8
[M-H]- 245.14078 157.7
[M+NH4]+ 264.18188 165.8
[M+K]+ 285.11122 159.9
[M+H-H2O]+ 229.14532 137.9
[M+HCOO]- 291.14626 169.0
[M+CH3COO]- 305.16191 210.7
[M+Na-2H]- 267.12273 157.5
[M]+ 246.14751 147.7
[M]- 246.14861 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.