CID 2756532

2-(2-aminobenzoyl)pyridine

Structural Information

Molecular Formula
C12H10N2O
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=CC=N2)N
InChI
InChI=1S/C12H10N2O/c13-10-6-2-1-5-9(10)12(15)11-7-3-4-8-14-11/h1-8H,13H2
InChIKey
WEWXXYDHYCDEKY-UHFFFAOYSA-N
Compound name
(2-aminophenyl)-pyridin-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

198.07932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.086596 141.9
[M+Na]+ 221.068538 149.6
[M-H]- 197.072044 147.1
[M+NH4]+ 216.113143 159.0
[M+K]+ 237.042478 145.9
[M+H-H2O]+ 181.076580 134.0
[M+HCOO]- 243.077521 165.6
[M+CH3COO]- 257.093171 186.0
[M+Na-2H]- 219.053986 148.7
[M]+ 198.07877142 139.6
[M]- 198.07986858 139.6
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

patents stripe