CID 6437840

N-(2-hydroxyethyl)retinamide

Structural Information

Molecular Formula
C22H33NO2
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NCCO)/C)/C
InChI
InChI=1S/C22H33NO2/c1-17(8-6-9-18(2)16-21(25)23-14-15-24)11-12-20-19(3)10-7-13-22(20,4)5/h6,8-9,11-12,16,24H,7,10,13-15H2,1-5H3,(H,23,25)/b9-6+,12-11+,17-8+,18-16+
InChIKey
JOSHOGBFUULHNI-LYKFAKFTSA-N
Compound name
(2E,4E,6E,8E)-N-(2-hydroxyethyl)-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

15
References

18
Patents

343.25113 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.25841 190.8
[M+Na]+ 366.24035 197.6
[M+NH4]+ 361.28495 196.4
[M+K]+ 382.21429 189.3
[M-H]- 342.24385 190.1
[M+Na-2H]- 364.22580 192.1
[M]+ 343.25058 191.1
[M]- 343.25168 191.1
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