CID 2320088

303094-68-0

Structural Information

Molecular Formula
C16H10Cl2N4OS
SMILES
C1=CC=C(C(=C1)C2=NNC(=S)NC2=O)N=CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2N4OS/c17-11-6-5-9(7-12(11)18)8-19-13-4-2-1-3-10(13)14-15(23)20-16(24)22-21-14/h1-8H,(H2,20,22,23,24)
InChIKey
DMPXPCXKJOJOHJ-UHFFFAOYSA-N
Compound name
6-[2-[(3,4-dichlorophenyl)methylideneamino]phenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.99524 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.00252 180.5
[M+Na]+ 398.98446 192.6
[M-H]- 374.98796 185.2
[M+NH4]+ 394.02906 189.7
[M+K]+ 414.95840 181.8
[M+H-H2O]+ 358.99250 171.8
[M+HCOO]- 420.99344 186.9
[M+CH3COO]- 435.00909 190.0
[M+Na-2H]- 396.96991 182.5
[M]+ 375.99469 183.1
[M]- 375.99579 183.1
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.