CID 57129

96732-05-7

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CC1=CC(=NO1)C(=O)NNCCC2=CC=CC=C2
InChI
InChI=1S/C13H15N3O2/c1-10-9-12(16-18-10)13(17)15-14-8-7-11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3,(H,15,17)
InChIKey
ZJOZKPIIQKASTL-UHFFFAOYSA-N
Compound name
5-methyl-N'-(2-phenylethyl)-1,2-oxazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 155.3
[M+Na]+ 268.10564 161.4
[M-H]- 244.10914 161.4
[M+NH4]+ 263.15024 170.8
[M+K]+ 284.07958 159.5
[M+H-H2O]+ 228.11368 146.8
[M+HCOO]- 290.11462 180.2
[M+CH3COO]- 304.13027 196.0
[M+Na-2H]- 266.09109 161.1
[M]+ 245.11587 156.3
[M]- 245.11697 156.3
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.