CID 5288173

N-ethylretinamide

Structural Information

Molecular Formula
C22H33NO
SMILES
CCNC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
InChI
InChI=1S/C22H33NO/c1-7-23-21(24)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3,(H,23,24)/b11-8+,14-13+,17-10+,18-16+
InChIKey
WKYDOCGICAMTKE-NBIQJRODSA-N
Compound name
(2E,4E,6E,8E)-N-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

125
Patents

327.25623 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.26351 184.5
[M+Na]+ 350.24545 187.5
[M-H]- 326.24895 186.5
[M+NH4]+ 345.29005 200.6
[M+K]+ 366.21939 182.2
[M+H-H2O]+ 310.25349 178.7
[M+HCOO]- 372.25443 201.2
[M+CH3COO]- 386.27008 215.0
[M+Na-2H]- 348.23090 180.6
[M]+ 327.25568 182.3
[M]- 327.25678 182.3
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