CID 363437

3,5-bis(dimethylamino)isoquinoline-7,8-dione

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CN(C)C1=CC(=O)C(=O)C2=CN=C(C=C12)N(C)C
InChI
InChI=1S/C13H15N3O2/c1-15(2)10-6-11(17)13(18)9-7-14-12(16(3)4)5-8(9)10/h5-7H,1-4H3
InChIKey
UQTRENXUWZZCRP-UHFFFAOYSA-N
Compound name
3,5-bis(dimethylamino)isoquinoline-7,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 153.2
[M+Na]+ 268.10564 161.9
[M-H]- 244.10914 159.7
[M+NH4]+ 263.15024 171.5
[M+K]+ 284.07958 161.0
[M+H-H2O]+ 228.11368 145.4
[M+HCOO]- 290.11462 177.3
[M+CH3COO]- 304.13027 207.7
[M+Na-2H]- 266.09109 158.1
[M]+ 245.11587 156.4
[M]- 245.11697 156.4
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.