CID 9361723

5-phenylisoxazole-3-carboxylic acid hydrazide

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NN
InChI
InChI=1S/C10H9N3O2/c11-12-10(14)8-6-9(15-13-8)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,14)
InChIKey
XBHLFCQJZLLQDJ-UHFFFAOYSA-N
Compound name
5-phenyl-1,2-oxazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

203.06947 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 141.7
[M+Na]+ 226.05869 149.2
[M-H]- 202.06219 147.9
[M+NH4]+ 221.10329 158.8
[M+K]+ 242.03263 147.7
[M+H-H2O]+ 186.06673 133.9
[M+HCOO]- 248.06767 167.1
[M+CH3COO]- 262.08332 186.4
[M+Na-2H]- 224.04414 148.1
[M]+ 203.06892 140.7
[M]- 203.07002 140.7
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

patents stripe