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 183.6
[M+Na]+ 362.15875 190.1
[M-H]- 338.16225 185.8
[M+NH4]+ 357.20335 191.5
[M+K]+ 378.13269 183.3
[M+H-H2O]+ 322.16679 171.6
[M+HCOO]- 384.16773 193.9
[M+CH3COO]- 398.18338 190.9
[M+Na-2H]- 360.14420 182.9
[M]+ 339.16898 178.1
[M]- 339.17008 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