CID 386619

Nsc679073

Structural Information

Molecular Formula
C16H17ClN6O
SMILES
C1CCC(CC1)N2C3=C(C(=NNC3=O)NC4=CC=C(C=C4)Cl)N=N2
InChI
InChI=1S/C16H17ClN6O/c17-10-6-8-11(9-7-10)18-15-13-14(16(24)21-20-15)23(22-19-13)12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,18,20)(H,21,24)
InChIKey
OXVDJXDLQPSELF-UHFFFAOYSA-N
Compound name
4-(4-chloroanilino)-1-cyclohexyl-6H-triazolo[4,5-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.11523 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12251 178.6
[M+Na]+ 367.10445 188.0
[M-H]- 343.10795 181.4
[M+NH4]+ 362.14905 187.3
[M+K]+ 383.07839 179.3
[M+H-H2O]+ 327.11249 166.6
[M+HCOO]- 389.11343 189.4
[M+CH3COO]- 403.12908 187.1
[M+Na-2H]- 365.08990 182.5
[M]+ 344.11468 176.8
[M]- 344.11578 176.8
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.