CID 214631

33544-06-8

Structural Information

Molecular Formula
C12H10N4O2
SMILES
CC1=CC(=C2C(=C1)OC(=CC2=O)C3=NNN=N3)C
InChI
InChI=1S/C12H10N4O2/c1-6-3-7(2)11-8(17)5-10(18-9(11)4-6)12-13-15-16-14-12/h3-5H,1-2H3,(H,13,14,15,16)
InChIKey
FBHJCKIOSMTRGB-UHFFFAOYSA-N
Compound name
5,7-dimethyl-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.08037 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08765 153.2
[M+Na]+ 265.06959 166.8
[M-H]- 241.07309 156.6
[M+NH4]+ 260.11419 166.7
[M+K]+ 281.04353 162.1
[M+H-H2O]+ 225.07763 144.2
[M+HCOO]- 287.07857 172.9
[M+CH3COO]- 301.09422 166.2
[M+Na-2H]- 263.05504 160.1
[M]+ 242.07982 157.0
[M]- 242.08092 157.0
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