CID 460753

148613-63-2

Structural Information

Molecular Formula
C19H15N5O2
SMILES
CC1=CC=C(C=C1)C2=NN(C3=NC(=O)N(C(=O)C3=N2)C4=CC=CC=C4)C
InChI
InChI=1S/C19H15N5O2/c1-12-8-10-13(11-9-12)16-20-15-17(23(2)22-16)21-19(26)24(18(15)25)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKey
PMGSJHIEYJFMAG-UHFFFAOYSA-N
Compound name
1-methyl-3-(4-methylphenyl)-6-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.1226 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12988 187.5
[M+Na]+ 368.11182 200.1
[M-H]- 344.11532 192.5
[M+NH4]+ 363.15642 194.6
[M+K]+ 384.08576 191.7
[M+H-H2O]+ 328.11986 174.2
[M+HCOO]- 390.12080 204.1
[M+CH3COO]- 404.13645 197.2
[M+Na-2H]- 366.09727 193.3
[M]+ 345.12205 189.8
[M]- 345.12315 189.8
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.