CID 386672

Nsc679199

Structural Information

Molecular Formula
C16H12N4O2
SMILES
CN1C2=CC=CC=C2N3C1=NN=C(C3=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C16H12N4O2/c1-19-12-4-2-3-5-13(12)20-15(22)14(17-18-16(19)20)10-6-8-11(21)9-7-10/h2-9,21H,1H3
InChIKey
ZUDQDOQONZTDBY-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.09604 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10332 167.9
[M+Na]+ 315.08526 181.5
[M-H]- 291.08876 171.7
[M+NH4]+ 310.12986 181.5
[M+K]+ 331.05920 174.3
[M+H-H2O]+ 275.09330 158.1
[M+HCOO]- 337.09424 186.7
[M+CH3COO]- 351.10989 179.7
[M+Na-2H]- 313.07071 174.4
[M]+ 292.09549 171.6
[M]- 292.09659 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.