CID 386622

Nsc679076

Structural Information

Molecular Formula
C17H15N7O
SMILES
CC1=CC=C(C=C1)N2C3=C(C(=NNC3=O)NNC4=CC=CC=C4)N=N2
InChI
InChI=1S/C17H15N7O/c1-11-7-9-13(10-8-11)24-15-14(19-23-24)16(21-22-17(15)25)20-18-12-5-3-2-4-6-12/h2-10,18H,1H3,(H,20,21)(H,22,25)
InChIKey
AQMWRZRCRUSQLD-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-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

333.13382 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14110 175.9
[M+Na]+ 356.12304 186.4
[M-H]- 332.12654 180.4
[M+NH4]+ 351.16764 184.2
[M+K]+ 372.09698 178.0
[M+H-H2O]+ 316.13108 164.1
[M+HCOO]- 378.13202 196.4
[M+CH3COO]- 392.14767 185.7
[M+Na-2H]- 354.10849 184.1
[M]+ 333.13327 176.1
[M]- 333.13437 176.1
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.