CID 90480496

1-(5-tert-butyl-1-methyl-pyrazol-3-yl)-3-chloro-2-hydroxy-4-methyl-2h-pyrrol-5-one

Structural Information

Molecular Formula
C13H18ClN3O2
SMILES
CC1=C(C(N(C1=O)C2=NN(C(=C2)C(C)(C)C)C)O)Cl
InChI
InChI=1S/C13H18ClN3O2/c1-7-10(14)12(19)17(11(7)18)9-6-8(13(2,3)4)16(5)15-9/h6,12,19H,1-5H3
InChIKey
UEBHMCJFXCOWQW-UHFFFAOYSA-N
Compound name
1-(5-tert-butyl-1-methylpyrazol-3-yl)-3-chloro-2-hydroxy-4-methyl-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

283.10876 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11604 165.1
[M+Na]+ 306.09798 176.6
[M+NH4]+ 301.14258 170.9
[M+K]+ 322.07192 175.8
[M-H]- 282.10148 164.7
[M+Na-2H]- 304.08343 168.0
[M]+ 283.10821 166.7
[M]- 283.10931 166.7
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