CID 11268660

Am-1710

Structural Information

Molecular Formula
C23H28O4
SMILES
CCCCCCC(C)(C)C1=CC(=C2C(=C1)OC(=O)C3=C2C=C(C=C3)OC)O
InChI
InChI=1S/C23H28O4/c1-5-6-7-8-11-23(2,3)15-12-19(24)21-18-14-16(26-4)9-10-17(18)22(25)27-20(21)13-15/h9-10,12-14,24H,5-8,11H2,1-4H3
InChIKey
ZAIKPEWFCSQNQB-UHFFFAOYSA-N
Compound name
1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

9
Patents

368.19876 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20604 191.4
[M+Na]+ 391.18798 200.8
[M-H]- 367.19148 196.6
[M+NH4]+ 386.23258 204.7
[M+K]+ 407.16192 197.0
[M+H-H2O]+ 351.19602 183.5
[M+HCOO]- 413.19696 208.8
[M+CH3COO]- 427.21261 219.8
[M+Na-2H]- 389.17343 196.9
[M]+ 368.19821 200.2
[M]- 368.19931 200.2
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