CID 21780

5588-11-4

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=CC=C(N1NC(=O)C2=CC=NC=C2)C
InChI
InChI=1S/C12H13N3O/c1-9-3-4-10(2)15(9)14-12(16)11-5-7-13-8-6-11/h3-8H,1-2H3,(H,14,16)
InChIKey
BZSIVBPSSDJJOL-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

215.10587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 147.4
[M+Na]+ 238.09509 155.9
[M-H]- 214.09859 152.2
[M+NH4]+ 233.13969 165.0
[M+K]+ 254.06903 152.7
[M+H-H2O]+ 198.10313 139.1
[M+HCOO]- 260.10407 171.2
[M+CH3COO]- 274.11972 189.7
[M+Na-2H]- 236.08054 151.9
[M]+ 215.10532 147.7
[M]- 215.10642 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.