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 159.7
[M+Na]+ 294.12130 164.3
[M-H]- 270.12480 165.8
[M+NH4]+ 289.16590 174.8
[M+K]+ 310.09524 161.7
[M+H-H2O]+ 254.12934 151.1
[M+HCOO]- 316.13028 180.9
[M+CH3COO]- 330.14593 170.6
[M+Na-2H]- 292.10675 165.6
[M]+ 271.13153 157.4
[M]- 271.13263 157.4
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