CID 1477387

478043-92-4

Structural Information

Molecular Formula
C11H7ClN4O2
SMILES
CC1=NOC(=C1C#N)NC(=O)C2=C(N=CC=C2)Cl
InChI
InChI=1S/C11H7ClN4O2/c1-6-8(5-13)11(18-16-6)15-10(17)7-3-2-4-14-9(7)12/h2-4H,1H3,(H,15,17)
InChIKey
YTTQYTLIKSFZJG-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.02576 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.03304 156.6
[M+Na]+ 285.01498 168.3
[M-H]- 261.01848 160.0
[M+NH4]+ 280.05958 169.7
[M+K]+ 300.98892 164.1
[M+H-H2O]+ 245.02302 141.5
[M+HCOO]- 307.02396 171.4
[M+CH3COO]- 321.03961 205.9
[M+Na-2H]- 283.00043 160.0
[M]+ 262.02521 154.7
[M]- 262.02631 154.8
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.