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]+ 247.155336 153.9
[M+Na]+ 269.137278 161.8
[M-H]- 245.140784 157.7
[M+NH4]+ 264.181883 165.8
[M+K]+ 285.111218 159.9
[M+H-H2O]+ 229.145320 137.9
[M+HCOO]- 291.146261 169.0
[M+CH3COO]- 305.161911 210.7
[M+Na-2H]- 267.122726 157.5
[M]+ 246.14751142 147.7
[M]- 246.14860858 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.