CID 58901

Clazuril

Structural Information

Molecular Formula
C17H10Cl2N4O2
SMILES
C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2)N3C(=O)NC(=O)C=N3)Cl)Cl
InChI
InChI=1S/C17H10Cl2N4O2/c18-11-3-1-10(2-4-11)14(8-20)13-6-5-12(7-15(13)19)23-17(25)22-16(24)9-21-23/h1-7,9,14H,(H,22,24,25)
InChIKey
QUUTUGLQZLNABV-UHFFFAOYSA-N
Compound name
2-[2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-chlorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

456
Patents

372.01807 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.02535 182.1
[M+Na]+ 395.00729 194.9
[M-H]- 371.01079 183.9
[M+NH4]+ 390.05189 189.1
[M+K]+ 410.98123 185.1
[M+H-H2O]+ 355.01533 165.6
[M+HCOO]- 417.01627 188.0
[M+CH3COO]- 431.03192 189.7
[M+Na-2H]- 392.99274 183.5
[M]+ 372.01752 179.1
[M]- 372.01862 179.1
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.