CID 59277009

6-bromo-n-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

Structural Information

Molecular Formula
C10H14BrN3O
SMILES
CN(C)CCNC(=O)C1=CN=C(C=C1)Br
InChI
InChI=1S/C10H14BrN3O/c1-14(2)6-5-12-10(15)8-3-4-9(11)13-7-8/h3-4,7H,5-6H2,1-2H3,(H,12,15)
InChIKey
VNEIXBYAXGOJFE-UHFFFAOYSA-N
Compound name
6-bromo-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

271.032 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.039276 151.6
[M+Na]+ 294.021218 160.9
[M-H]- 270.024724 157.6
[M+NH4]+ 289.065823 170.3
[M+K]+ 309.995158 150.6
[M+H-H2O]+ 254.029260 149.1
[M+HCOO]- 316.030201 173.8
[M+CH3COO]- 330.045851 201.8
[M+Na-2H]- 292.006666 158.2
[M]+ 271.03145142 170.9
[M]- 271.03254858 170.9
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