CID 3087149

Brn 5639196

Structural Information

Molecular Formula
C15H14N6O3
SMILES
CN1C2=NNC(=O)NC2(C(=O)N(C1=O)C)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C15H14N6O3/c1-20-11-15(17-13(23)19-18-11,12(22)21(2)14(20)24)9-7-16-10-6-4-3-5-8(9)10/h3-7,16H,1-2H3,(H2,17,19,23)
InChIKey
JWSCJAHDLWLBMP-UHFFFAOYSA-N
Compound name
4a-(1H-indol-3-yl)-6,8-dimethyl-2,4-dihydropyrimido[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

326.11273 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12001 181.4
[M+Na]+ 349.10195 192.8
[M-H]- 325.10545 179.4
[M+NH4]+ 344.14655 191.1
[M+K]+ 365.07589 184.5
[M+H-H2O]+ 309.10999 171.4
[M+HCOO]- 371.11093 189.6
[M+CH3COO]- 385.12658 189.2
[M+Na-2H]- 347.08740 183.7
[M]+ 326.11218 177.6
[M]- 326.11328 177.6
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.