CID 58475

Antipyrine, 4-butyl-

Structural Information

Molecular Formula
C15H20N2O
SMILES
CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C15H20N2O/c1-4-5-11-14-12(2)16(3)17(15(14)18)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3
InChIKey
BNBDCFNLLNBTIU-UHFFFAOYSA-N
Compound name
4-butyl-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 158.0
[M+Na]+ 267.14678 172.4
[M+NH4]+ 262.19138 165.7
[M+K]+ 283.12072 166.4
[M-H]- 243.15028 160.9
[M+Na-2H]- 265.13223 165.1
[M]+ 244.15701 160.9
[M]- 244.15811 160.9
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.