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 152.1
[M+Na]+ 265.06959 168.8
[M+NH4]+ 260.11419 158.8
[M+K]+ 281.04353 164.6
[M-H]- 241.07309 155.1
[M+Na-2H]- 263.05504 159.6
[M]+ 242.07982 155.4
[M]- 242.08092 155.4
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.