CID 6445528

3,5-pyrazolidinedione, 1,2-diphenyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (trans,trans,cis,trans)-

Structural Information

Molecular Formula
C30H36N2O2
SMILES
CC(=CCC/C(=C\CC/C(=C/CC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)/C)/C)C
InChI
InChI=1S/C30H36N2O2/c1-23(2)13-11-14-24(3)15-12-16-25(4)21-22-28-29(33)31(26-17-7-5-8-18-26)32(30(28)34)27-19-9-6-10-20-27/h5-10,13,15,17-21,28H,11-12,14,16,22H2,1-4H3/b24-15-,25-21+
InChIKey
VEVLYFYWDZDBBM-KUARZCDDSA-N
Compound name
1,2-diphenyl-4-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.27768 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.28496 218.8
[M+Na]+ 479.26690 221.6
[M-H]- 455.27040 224.3
[M+NH4]+ 474.31150 226.0
[M+K]+ 495.24084 213.5
[M+H-H2O]+ 439.27494 207.8
[M+HCOO]- 501.27588 232.6
[M+CH3COO]- 515.29153 236.6
[M+Na-2H]- 477.25235 209.9
[M]+ 456.27713 218.4
[M]- 456.27823 218.4
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.