CID 23715660

Aminopyrine sodium salt

Structural Information

Molecular Formula
C13H17N3O
SMILES
CN1C(=C)C(C(=O)N1C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9,12H,1H2,2-4H3
InChIKey
OTPAYCWKBFYJBB-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-methyl-5-methylidene-2-phenylpyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 154.1
[M+Na]+ 254.12638 166.0
[M+NH4]+ 249.17098 161.5
[M+K]+ 270.10032 161.8
[M-H]- 230.12988 157.0
[M+Na-2H]- 252.11183 159.8
[M]+ 231.13661 156.4
[M]- 231.13771 156.4
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.