CID 79248971

4-chloro-n-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
CC(C)C(CO)NC(=O)C1=NC=CC(=C1)Cl
InChI
InChI=1S/C11H15ClN2O2/c1-7(2)10(6-15)14-11(16)9-5-8(12)3-4-13-9/h3-5,7,10,15H,6H2,1-2H3,(H,14,16)
InChIKey
NQAKZNYRARNAEV-UHFFFAOYSA-N
Compound name
4-chloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0822 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.089476 152.9
[M+Na]+ 265.071418 159.4
[M-H]- 241.074924 153.7
[M+NH4]+ 260.116023 168.9
[M+K]+ 281.045358 155.9
[M+H-H2O]+ 225.079460 146.9
[M+HCOO]- 287.080401 168.2
[M+CH3COO]- 301.096051 192.4
[M+Na-2H]- 263.056866 155.2
[M]+ 242.08165142 154.1
[M]- 242.08274858 154.1
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.