CID 386618

Nsc679072

Structural Information

Molecular Formula
C16H18N6O
SMILES
C1CCC(CC1)N2C3=C(C(=NNC3=O)NC4=CC=CC=C4)N=N2
InChI
InChI=1S/C16H18N6O/c23-16-14-13(18-21-22(14)12-9-5-2-6-10-12)15(19-20-16)17-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,17,19)(H,20,23)
InChIKey
HRLZIHDDSMLPGE-UHFFFAOYSA-N
Compound name
4-anilino-1-cyclohexyl-6H-triazolo[4,5-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1542 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16148 171.3
[M+Na]+ 333.14342 179.3
[M-H]- 309.14692 174.2
[M+NH4]+ 328.18802 180.3
[M+K]+ 349.11736 171.7
[M+H-H2O]+ 293.15146 159.3
[M+HCOO]- 355.15240 187.0
[M+CH3COO]- 369.16805 180.1
[M+Na-2H]- 331.12887 176.7
[M]+ 310.15365 167.2
[M]- 310.15475 167.2
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.