CID 6852176

Gsk5182

Structural Information

Molecular Formula
C27H31NO3
SMILES
CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCO)\C2=CC=CC=C2)/C3=CC=C(C=C3)O
InChI
InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-
InChIKey
ZVSFNBNLNLXEFQ-RQZHXJHFSA-N
Compound name
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

44
Patents

417.2304 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.23768 207.1
[M+Na]+ 440.21962 219.7
[M+NH4]+ 435.26422 213.5
[M+K]+ 456.19356 211.4
[M-H]- 416.22312 213.1
[M+Na-2H]- 438.20507 215.6
[M]+ 417.22985 210.6
[M]- 417.23095 210.6
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