CID 25104045

Upb5g360ma

Structural Information

Molecular Formula
C13H15N3O3
SMILES
CN(C1CCOCC1)C(=O)C2=CC3=NON=C3C=C2
InChI
InChI=1S/C13H15N3O3/c1-16(10-4-6-18-7-5-10)13(17)9-2-3-11-12(8-9)15-19-14-11/h2-3,8,10H,4-7H2,1H3
InChIKey
IRYRMRDDVXULFG-UHFFFAOYSA-N
Compound name
N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

261.11133 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11861 156.9
[M+Na]+ 284.10055 163.5
[M-H]- 260.10405 164.2
[M+NH4]+ 279.14515 170.8
[M+K]+ 300.07449 164.1
[M+H-H2O]+ 244.10859 148.0
[M+HCOO]- 306.10953 176.1
[M+CH3COO]- 320.12518 168.9
[M+Na-2H]- 282.08600 162.8
[M]+ 261.11078 158.3
[M]- 261.11188 158.3
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