CID 6314185

Motretinide

Structural Information

Molecular Formula
C23H31NO2
SMILES
CCNC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C(=C(C=C1C)OC)C)C
InChI
InChI=1S/C23H31NO2/c1-8-24-23(25)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(26-7)20(6)19(21)5/h9-15H,8H2,1-7H3,(H,24,25)/b11-9+,13-12+,16-10+,17-14+
InChIKey
IYIYMCASGKQOCZ-DJRRULDNSA-N
Compound name
(2E,4E,6E,8E)-N-ethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

22
References

3480
Patents

353.23547 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24275 192.4
[M+Na]+ 376.22469 202.1
[M+NH4]+ 371.26929 196.9
[M+K]+ 392.19863 194.9
[M-H]- 352.22819 192.8
[M+Na-2H]- 374.21014 193.8
[M]+ 353.23492 193.5
[M]- 353.23602 193.5
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