CID 216683

37606-76-1

Structural Information

Molecular Formula
C25H30N2O2
SMILES
CC(CCC=C(C)C)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H30N2O2/c1-19(2)11-10-12-20(3)17-18-23-24(28)26(21-13-6-4-7-14-21)27(25(23)29)22-15-8-5-9-16-22/h4-9,11,13-16,20,23H,10,12,17-18H2,1-3H3
InChIKey
HSSWBHJCRDIHFZ-UHFFFAOYSA-N
Compound name
4-(3,7-dimethyloct-6-enyl)-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.23074 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.23802 199.7
[M+Na]+ 413.21996 211.9
[M+NH4]+ 408.26456 205.4
[M+K]+ 429.19390 205.7
[M-H]- 389.22346 203.4
[M+Na-2H]- 411.20541 205.3
[M]+ 390.23019 202.3
[M]- 390.23129 202.3
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.