CID 121008

1090-53-5

Structural Information

Molecular Formula
C15H17N3O2
SMILES
C1CCC2=C(C1)C(=NO2)C(=O)NNCC3=CC=CC=C3
InChI
InChI=1S/C15H17N3O2/c19-15(17-16-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)20-18-14/h1-3,6-7,16H,4-5,8-10H2,(H,17,19)
InChIKey
QNRUURZMFYSZFE-UHFFFAOYSA-N
Compound name
N'-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.13208 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 162.8
[M+Na]+ 294.12130 173.3
[M+NH4]+ 289.16590 170.6
[M+K]+ 310.09524 168.8
[M-H]- 270.12480 168.2
[M+Na-2H]- 292.10675 168.7
[M]+ 271.13153 165.5
[M]- 271.13263 165.5
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

patents stripe