CID 382092

Nsc669451

Structural Information

Molecular Formula
C11H8N6O2
SMILES
CC1=C(C(=NO1)C)N2N=C3C=CC4=NON=C4C3=N2
InChI
InChI=1S/C11H8N6O2/c1-5-11(6(2)18-14-5)17-12-7-3-4-8-10(9(7)13-17)16-19-15-8/h3-4H,1-2H3
InChIKey
HGGNMXMIRWLMEI-UHFFFAOYSA-N
Compound name
7-(3,5-dimethyl-1,2-oxazol-4-yl)triazolo[4,5-g][2,1,3]benzoxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.07086 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07814 153.5
[M+Na]+ 279.06008 169.4
[M-H]- 255.06358 158.7
[M+NH4]+ 274.10468 167.7
[M+K]+ 295.03402 167.5
[M+H-H2O]+ 239.06812 145.5
[M+HCOO]- 301.06906 173.8
[M+CH3COO]- 315.08471 167.5
[M+Na-2H]- 277.04553 157.5
[M]+ 256.07031 162.9
[M]- 256.07141 162.9
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.