CID 43479

60789-89-1

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC1=CC(=NO1)C(=O)NNC(C)CC2=CC=CC=C2
InChI
InChI=1S/C14H17N3O2/c1-10(8-12-6-4-3-5-7-12)15-16-14(18)13-9-11(2)19-17-13/h3-7,9-10,15H,8H2,1-2H3,(H,16,18)
InChIKey
BYBUKOLWVLGTJF-UHFFFAOYSA-N
Compound name
5-methyl-N'-(1-phenylpropan-2-yl)-1,2-oxazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

259.13208 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 160.8
[M+Na]+ 282.121298 166.2
[M-H]- 258.124804 166.9
[M+NH4]+ 277.165903 175.8
[M+K]+ 298.095238 164.7
[M+H-H2O]+ 242.129340 152.3
[M+HCOO]- 304.130281 184.4
[M+CH3COO]- 318.145931 199.9
[M+Na-2H]- 280.106746 164.9
[M]+ 259.13153142 161.6
[M]- 259.13262858 161.6
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

No patent data available for this compound.