CID 170917053

N-(6-bromopyridin-2-yl)-5-methyl-1h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C11H10BrN3O
SMILES
CC1=CC=C(N1)C(=O)NC2=NC(=CC=C2)Br
InChI
InChI=1S/C11H10BrN3O/c1-7-5-6-8(13-7)11(16)15-10-4-2-3-9(12)14-10/h2-6,13H,1H3,(H,14,15,16)
InChIKey
UOLDBHWNGRWNSZ-UHFFFAOYSA-N
Compound name
N-(6-bromopyridin-2-yl)-5-methyl-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.00073 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.00801 153.3
[M+Na]+ 301.98995 164.6
[M-H]- 277.99345 159.3
[M+NH4]+ 297.03455 171.3
[M+K]+ 317.96389 152.2
[M+H-H2O]+ 261.99799 151.5
[M+HCOO]- 323.99893 173.5
[M+CH3COO]- 338.01458 194.0
[M+Na-2H]- 299.97540 158.8
[M]+ 279.00018 170.1
[M]- 279.00128 170.1
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

No patent data available for this compound.