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

6
Patents

339.16953 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.176806 183.6
[M+Na]+ 362.158748 190.1
[M-H]- 338.162254 185.8
[M+NH4]+ 357.203353 191.5
[M+K]+ 378.132688 183.3
[M+H-H2O]+ 322.166790 171.6
[M+HCOO]- 384.167731 193.9
[M+CH3COO]- 398.183381 190.9
[M+Na-2H]- 360.144196 182.9
[M]+ 339.16898142 178.1
[M]- 339.17007858 178.1
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

patents stripe