CID 135429909

Nsc376784

Structural Information

Molecular Formula
C18H12N4O2
SMILES
C1=CC=C(C=C1)C2=NC3=NC(=CC(=O)N3N=C2C4=CC=CC=C4)O
InChI
InChI=1S/C18H12N4O2/c23-14-11-15(24)22-18(19-14)20-16(12-7-3-1-4-8-12)17(21-22)13-9-5-2-6-10-13/h1-11,23H
InChIKey
SYXVMRONSYJFDF-UHFFFAOYSA-N
Compound name
6-hydroxy-2,3-diphenylpyrimido[1,2-b][1,2,4]triazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.09604 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10332 175.8
[M+Na]+ 339.08526 186.5
[M-H]- 315.08876 180.4
[M+NH4]+ 334.12986 184.4
[M+K]+ 355.05920 178.6
[M+H-H2O]+ 299.09330 163.6
[M+HCOO]- 361.09424 192.9
[M+CH3COO]- 375.10989 185.7
[M+Na-2H]- 337.07071 183.7
[M]+ 316.09549 175.7
[M]- 316.09659 175.7
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.