CID 3066593

Brn 5652024

Structural Information

Molecular Formula
C15H14N6O4
SMILES
CN1C2=NNC(=O)N(C2(C(=O)N(C1=O)C)C3=CNC4=CC=CC=C43)O
InChI
InChI=1S/C15H14N6O4/c1-19-11-15(12(22)20(2)14(19)24,21(25)13(23)18-17-11)9-7-16-10-6-4-3-5-8(9)10/h3-7,16,25H,1-2H3,(H,18,23)
InChIKey
UBAMHOXIGSPNQM-UHFFFAOYSA-N
Compound name
4-hydroxy-4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.10767 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11495 184.6
[M+Na]+ 365.09689 196.5
[M-H]- 341.10039 183.0
[M+NH4]+ 360.14149 193.8
[M+K]+ 381.07083 189.0
[M+H-H2O]+ 325.10493 174.9
[M+HCOO]- 387.10587 192.8
[M+CH3COO]- 401.12152 192.5
[M+Na-2H]- 363.08234 186.3
[M]+ 342.10712 182.6
[M]- 342.10822 182.6
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.