CID 365015

Nsc631950

Structural Information

Molecular Formula
C23H32O4
SMILES
C1C(CC(=O)C(=C(CCCCCCCCCCC2=CC=CC=C2)O)C1=O)O
InChI
InChI=1S/C23H32O4/c24-19-16-21(26)23(22(27)17-19)20(25)15-11-6-4-2-1-3-5-8-12-18-13-9-7-10-14-18/h7,9-10,13-14,19,24-25H,1-6,8,11-12,15-17H2
InChIKey
YMWGUURVILDETI-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(1-hydroxy-11-phenylundecylidene)cyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

372.23007 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.23735 193.7
[M+Na]+ 395.21929 195.4
[M-H]- 371.22279 195.5
[M+NH4]+ 390.26389 204.0
[M+K]+ 411.19323 189.5
[M+H-H2O]+ 355.22733 185.4
[M+HCOO]- 417.22827 207.9
[M+CH3COO]- 431.24392 214.7
[M+Na-2H]- 393.20474 189.9
[M]+ 372.22952 192.0
[M]- 372.23062 192.0
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

patents stripe