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 199.3
[M+Na]+ 413.21996 203.9
[M-H]- 389.22346 205.5
[M+NH4]+ 408.26456 209.3
[M+K]+ 429.19390 197.5
[M+H-H2O]+ 373.22800 188.7
[M+HCOO]- 435.22894 215.4
[M+CH3COO]- 449.24459 223.8
[M+Na-2H]- 411.20541 194.0
[M]+ 390.23019 199.4
[M]- 390.23129 199.4
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.