CID 204867

17072-85-4

Structural Information

Molecular Formula
C16H19ClN2O2
SMILES
CCCCOC1=NN(C(=O)C=C1)C(CCl)C2=CC=CC=C2
InChI
InChI=1S/C16H19ClN2O2/c1-2-3-11-21-15-9-10-16(20)19(18-15)14(12-17)13-7-5-4-6-8-13/h4-10,14H,2-3,11-12H2,1H3
InChIKey
DFVWTNJYWQADGU-UHFFFAOYSA-N
Compound name
6-butoxy-2-(2-chloro-1-phenylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1135 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12078 169.0
[M+Na]+ 329.10272 177.1
[M-H]- 305.10622 172.5
[M+NH4]+ 324.14732 181.9
[M+K]+ 345.07666 171.6
[M+H-H2O]+ 289.11076 159.8
[M+HCOO]- 351.11170 184.9
[M+CH3COO]- 365.12735 203.4
[M+Na-2H]- 327.08817 173.0
[M]+ 306.11295 174.1
[M]- 306.11405 174.1
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.