CID 386617

Nsc679071

Structural Information

Molecular Formula
C16H19N7O
SMILES
C1CCC(CC1)N2C3=C(C(=NNC3=O)NNC4=CC=CC=C4)N=N2
InChI
InChI=1S/C16H19N7O/c24-16-14-13(18-22-23(14)12-9-5-2-6-10-12)15(20-21-16)19-17-11-7-3-1-4-8-11/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,19,20)(H,21,24)
InChIKey
PJZMKRGAKUSSBV-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1651 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17238 172.2
[M+Na]+ 348.15432 179.3
[M-H]- 324.15782 175.2
[M+NH4]+ 343.19892 180.3
[M+K]+ 364.12826 171.8
[M+H-H2O]+ 308.16236 160.1
[M+HCOO]- 370.16330 189.0
[M+CH3COO]- 384.17895 180.6
[M+Na-2H]- 346.13977 178.8
[M]+ 325.16455 167.6
[M]- 325.16565 167.6
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.