CID 6446720

Longistylin c

Structural Information

Molecular Formula
C20H22O2
SMILES
CC(=CCC1=C(C=C(C=C1OC)O)/C=C/C2=CC=CC=C2)C
InChI
InChI=1S/C20H22O2/c1-15(2)9-12-19-17(13-18(21)14-20(19)22-3)11-10-16-7-5-4-6-8-16/h4-11,13-14,21H,12H2,1-3H3/b11-10+
InChIKey
NFAWEPOBHKEHPO-ZHACJKMWSA-N
Compound name
3-methoxy-4-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

48
Patents

294.162 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16928 171.5
[M+Na]+ 317.15122 178.3
[M-H]- 293.15472 176.8
[M+NH4]+ 312.19582 186.6
[M+K]+ 333.12516 172.6
[M+H-H2O]+ 277.15926 164.0
[M+HCOO]- 339.16020 192.2
[M+CH3COO]- 353.17585 202.9
[M+Na-2H]- 315.13667 172.6
[M]+ 294.16145 172.7
[M]- 294.16255 172.7
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