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]+ 272.03928 151.6
[M+Na]+ 294.02122 160.9
[M-H]- 270.02472 157.6
[M+NH4]+ 289.06582 170.3
[M+K]+ 309.99516 150.6
[M+H-H2O]+ 254.02926 149.1
[M+HCOO]- 316.03020 173.8
[M+CH3COO]- 330.04585 201.8
[M+Na-2H]- 292.00667 158.2
[M]+ 271.03145 170.9
[M]- 271.03255 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