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]+ 249.134596 152.2
[M+Na]+ 271.116538 164.9
[M-H]- 247.120044 152.4
[M+NH4]+ 266.161143 177.1
[M+K]+ 287.090478 161.0
[M+H-H2O]+ 231.124580 145.9
[M+HCOO]- 293.125521 166.9
[M+CH3COO]- 307.141171 164.4
[M+Na-2H]- 269.101986 158.5
[M]+ 248.12677142 152.9
[M]- 248.12786858 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.