CID 5282199

Teprenone

Structural Information

Molecular Formula
C23H38O
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)/C)C
InChI
InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+
InChIKey
HUCXKZBETONXFO-NJFMWZAGSA-N
Compound name
(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

324
References

3312
Patents

330.29227 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.29955 192.1
[M+Na]+ 353.28149 193.3
[M-H]- 329.28499 190.1
[M+NH4]+ 348.32609 206.2
[M+K]+ 369.25543 188.3
[M+H-H2O]+ 313.28953 185.9
[M+HCOO]- 375.29047 206.8
[M+CH3COO]- 389.30612 217.2
[M+Na-2H]- 351.26694 184.3
[M]+ 330.29172 194.4
[M]- 330.29282 194.4
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