CID 14191208

Yucalexin p21

Structural Information

Molecular Formula
C20H32O2
SMILES
CC1(C2CCC3=CC(C(CC3C2(CCC1O)C)O)(C)C=C)C
InChI
InChI=1S/C20H32O2/c1-6-19(4)12-13-7-8-15-18(2,3)16(21)9-10-20(15,5)14(13)11-17(19)22/h6,12,14-17,21-22H,1,7-11H2,2-5H3
InChIKey
BXDBZZUQTQKCEI-UHFFFAOYSA-N
Compound name
7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.24023 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 174.3
[M+Na]+ 327.22945 180.8
[M-H]- 303.23295 176.0
[M+NH4]+ 322.27405 196.6
[M+K]+ 343.20339 175.5
[M+H-H2O]+ 287.23749 169.3
[M+HCOO]- 349.23843 183.2
[M+CH3COO]- 363.25408 205.1
[M+Na-2H]- 325.21490 176.2
[M]+ 304.23968 168.6
[M]- 304.24078 168.6
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