CID 200014

Dtxsid101350495

Structural Information

Molecular Formula
C16H19N3O
SMILES
CC1=NN(C(=O)C1=CN2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C16H19N3O/c1-13-15(12-18-10-6-3-7-11-18)16(20)19(17-13)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKey
CPRWWCPKEGAJNJ-UHFFFAOYSA-N
Compound name
5-methyl-2-phenyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.1528 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.160076 165.4
[M+Na]+ 292.142018 171.7
[M-H]- 268.145524 170.4
[M+NH4]+ 287.186623 179.0
[M+K]+ 308.115958 166.4
[M+H-H2O]+ 252.150060 154.9
[M+HCOO]- 314.151001 182.0
[M+CH3COO]- 328.166651 175.5
[M+Na-2H]- 290.127466 165.5
[M]+ 269.15225142 160.2
[M]- 269.15334858 160.2
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.