CID 3070042

85634-51-1

Structural Information

Molecular Formula
C18H21N5O2
SMILES
CC1CC(=O)NN=C1C2=CC3=C(C=C2)N(N=N3)C(=O)C4CCCCC4
InChI
InChI=1S/C18H21N5O2/c1-11-9-16(24)20-21-17(11)13-7-8-15-14(10-13)19-22-23(15)18(25)12-5-3-2-4-6-12/h7-8,10-12H,2-6,9H2,1H3,(H,20,24)
InChIKey
WJDFAMDAVCIXJU-UHFFFAOYSA-N
Compound name
3-[1-(cyclohexanecarbonyl)benzotriazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

339.16953 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17681 181.7
[M+Na]+ 362.15875 194.6
[M+NH4]+ 357.20335 187.2
[M+K]+ 378.13269 190.3
[M-H]- 338.16225 183.9
[M+Na-2H]- 360.14420 187.1
[M]+ 339.16898 183.8
[M]- 339.17008 183.8
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

patents stripe