CID 6444598

Ckp [german]

Structural Information

Molecular Formula
C19H17ClN2O2
SMILES
C/C(=C/CC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)/Cl
InChI
InChI=1S/C19H17ClN2O2/c1-14(20)12-13-17-18(23)21(15-8-4-2-5-9-15)22(19(17)24)16-10-6-3-7-11-16/h2-12,17H,13H2,1H3/b14-12-
InChIKey
UQDJZHBCEVUVNR-OWBHPGMISA-N
Compound name
4-[(Z)-3-chlorobut-2-enyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

340.09787 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10515 180.4
[M+Na]+ 363.08709 188.9
[M-H]- 339.09059 187.4
[M+NH4]+ 358.13169 193.6
[M+K]+ 379.06103 181.6
[M+H-H2O]+ 323.09513 171.0
[M+HCOO]- 385.09607 194.9
[M+CH3COO]- 399.11172 208.9
[M+Na-2H]- 361.07254 178.8
[M]+ 340.09732 181.2
[M]- 340.09842 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe