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]+ 260.13936 160.8
[M+Na]+ 282.12130 166.2
[M-H]- 258.12480 166.9
[M+NH4]+ 277.16590 175.8
[M+K]+ 298.09524 164.7
[M+H-H2O]+ 242.12934 152.3
[M+HCOO]- 304.13028 184.4
[M+CH3COO]- 318.14593 199.9
[M+Na-2H]- 280.10675 164.9
[M]+ 259.13153 161.6
[M]- 259.13263 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.