CID 56231

91396-23-5

Structural Information

Molecular Formula
C12H12ClN3O2
SMILES
CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2Cl
InChI
InChI=1S/C12H12ClN3O2/c1-8-6-11(16-18-8)12(17)15-14-7-9-4-2-3-5-10(9)13/h2-6,14H,7H2,1H3,(H,15,17)
InChIKey
BQKPYJPXNTYNQV-UHFFFAOYSA-N
Compound name
N'-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0618 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06908 159.3
[M+Na]+ 288.05102 167.5
[M-H]- 264.05452 165.7
[M+NH4]+ 283.09562 175.2
[M+K]+ 304.02496 164.0
[M+H-H2O]+ 248.05906 151.7
[M+HCOO]- 310.06000 179.8
[M+CH3COO]- 324.07565 197.9
[M+Na-2H]- 286.03647 164.2
[M]+ 265.06125 162.4
[M]- 265.06235 162.4
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.