CID 379412

Nsc663954

Structural Information

Molecular Formula
C11H10N6O2
SMILES
CC1=C(C(=NO1)C)N=NC2=C(C3=NON=C3C=C2)N
InChI
InChI=1S/C11H10N6O2/c1-5-10(6(2)18-15-5)14-13-7-3-4-8-11(9(7)12)17-19-16-8/h3-4H,12H2,1-2H3
InChIKey
SSIUUOSFZVPBAE-UHFFFAOYSA-N
Compound name
5-[(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]-2,1,3-benzoxadiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.08652 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09380 155.8
[M+Na]+ 281.07574 168.2
[M-H]- 257.07924 165.3
[M+NH4]+ 276.12034 171.4
[M+K]+ 297.04968 167.5
[M+H-H2O]+ 241.08378 147.1
[M+HCOO]- 303.08472 184.0
[M+CH3COO]- 317.10037 170.4
[M+Na-2H]- 279.06119 163.3
[M]+ 258.08597 162.8
[M]- 258.08707 162.8
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.