CID 3059925

Brn 4192879

Structural Information

Molecular Formula
C13H11N3O2
SMILES
CC1=CC2=C(C=C1)OC(=CC2=O)C3=NN(N=C3)C
InChI
InChI=1S/C13H11N3O2/c1-8-3-4-12-9(5-8)11(17)6-13(18-12)10-7-14-16(2)15-10/h3-7H,1-2H3
InChIKey
NCIJCXVYHORIBT-UHFFFAOYSA-N
Compound name
6-methyl-2-(2-methyltriazol-4-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08513 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 151.1
[M+Na]+ 264.07435 168.4
[M+NH4]+ 259.11895 158.9
[M+K]+ 280.04829 163.3
[M-H]- 240.07785 155.4
[M+Na-2H]- 262.05980 159.5
[M]+ 241.08458 154.9
[M]- 241.08568 154.9
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.