CID 23703094

3,5-pyrazolidinedione, 4-butyl-1-(4-(4-methylphenyl)-2-thiazolyl)-2-phenyl-, ion(1-)-, sodium

Structural Information

Molecular Formula
C23H23N3O2S
SMILES
CCCCC1C(=O)N(N(C1=O)C2=NC(=CS2)C3=CC=C(C=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C23H23N3O2S/c1-3-4-10-19-21(27)25(18-8-6-5-7-9-18)26(22(19)28)23-24-20(15-29-23)17-13-11-16(2)12-14-17/h5-9,11-15,19H,3-4,10H2,1-2H3
InChIKey
NVXODQNLHZYDHX-UHFFFAOYSA-N
Compound name
4-butyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1511 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15838 199.2
[M+Na]+ 428.14032 208.8
[M-H]- 404.14382 209.5
[M+NH4]+ 423.18492 210.5
[M+K]+ 444.11426 201.7
[M+H-H2O]+ 388.14836 189.8
[M+HCOO]- 450.14930 214.3
[M+CH3COO]- 464.16495 209.1
[M+Na-2H]- 426.12577 192.5
[M]+ 405.15055 203.0
[M]- 405.15165 203.0
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.