CID 316470

23585-22-0

Structural Information

Molecular Formula
C12H16N4O2
SMILES
CC12CN=NC1(C(=O)C3(C=NNC3(C2=O)C)C)C
InChI
InChI=1S/C12H16N4O2/c1-9-5-13-15-11(9,3)8(18)10(2)6-14-16-12(10,4)7(9)17/h5,15H,6H2,1-4H3
InChIKey
UWLYSRCWACPDJL-UHFFFAOYSA-N
Compound name
3a,4a,7a,8a-tetramethyl-1,7-dihydropyrazolo[3,4-f]indazole-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.12732 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13460 152.2
[M+Na]+ 271.11654 164.9
[M-H]- 247.12004 152.4
[M+NH4]+ 266.16114 177.1
[M+K]+ 287.09048 161.0
[M+H-H2O]+ 231.12458 145.9
[M+HCOO]- 293.12552 166.9
[M+CH3COO]- 307.14117 164.4
[M+Na-2H]- 269.10199 158.5
[M]+ 248.12677 152.9
[M]- 248.12787 152.9
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.