CID 58713

Brn 0846249

Structural Information

Molecular Formula
C17H16N4O4
SMILES
CC1=CC(=NO1)C(=O)NN(CC2=CC=CC=C2)C(=O)C3=NOC(=C3)C
InChI
InChI=1S/C17H16N4O4/c1-11-8-14(19-24-11)16(22)18-21(10-13-6-4-3-5-7-13)17(23)15-9-12(2)25-20-15/h3-9H,10H2,1-2H3,(H,18,22)
InChIKey
FVTKCSCDMPLVTQ-UHFFFAOYSA-N
Compound name
N'-benzyl-5-methyl-N'-(5-methyl-1,2-oxazole-3-carbonyl)-1,2-oxazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.11716 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12444 179.0
[M+Na]+ 363.10638 186.2
[M-H]- 339.10988 190.3
[M+NH4]+ 358.15098 190.2
[M+K]+ 379.08032 186.6
[M+H-H2O]+ 323.11442 169.8
[M+HCOO]- 385.11536 203.9
[M+CH3COO]- 399.13101 214.5
[M+Na-2H]- 361.09183 181.3
[M]+ 340.11661 185.2
[M]- 340.11771 185.2
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.