CID 135666595

50603-25-3

Structural Information

Molecular Formula
C21H14N6O3
SMILES
CC1=C(C(=O)NC(=C1C#N)O)N=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C21H14N6O3/c1-11-15(10-22)20(29)25-21(30)17(11)27-26-13-8-6-12(7-9-13)18-23-16-5-3-2-4-14(16)19(28)24-18/h2-9H,1H3,(H,23,24,28)(H2,25,29,30)
InChIKey
YPICLNDUWOLQPQ-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methyl-6-oxo-5-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]diazenyl]-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.11273 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.12001 200.4
[M+Na]+ 421.10195 215.4
[M+NH4]+ 416.14655 202.0
[M+K]+ 437.07589 204.5
[M-H]- 397.10545 197.9
[M+Na-2H]- 419.08740 205.4
[M]+ 398.11218 200.9
[M]- 398.11328 200.9
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.