CID 474315

Vismiaphenone e

Structural Information

Molecular Formula
C23H24O5
SMILES
CC(=CCC1=C2C(=C(C(=C1O)C(=O)C3=CC=C(C=C3)O)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C23H24O5/c1-13(2)5-10-16-20(26)18(19(25)14-6-8-15(24)9-7-14)21(27)17-11-12-23(3,4)28-22(16)17/h5-9,11-12,24,26-27H,10H2,1-4H3
InChIKey
QSVXAYSUSAXBGQ-UHFFFAOYSA-N
Compound name
[5,7-dihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

380.16238 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16966 191.4
[M+Na]+ 403.15160 199.2
[M-H]- 379.15510 196.3
[M+NH4]+ 398.19620 203.3
[M+K]+ 419.12554 195.4
[M+H-H2O]+ 363.15964 184.3
[M+HCOO]- 425.16058 204.7
[M+CH3COO]- 439.17623 217.4
[M+Na-2H]- 401.13705 191.2
[M]+ 380.16183 193.4
[M]- 380.16293 193.4
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