CID 9950486

Am-1714

Structural Information

Molecular Formula
C22H26O4
SMILES
CCCCCCC(C)(C)C1=CC(=C2C(=C1)OC(=O)C3=C2C=C(C=C3)O)O
InChI
InChI=1S/C22H26O4/c1-4-5-6-7-10-22(2,3)14-11-18(24)20-17-13-15(23)8-9-16(17)21(25)26-19(20)12-14/h8-9,11-13,23-24H,4-7,10H2,1-3H3
InChIKey
BWKBVEVEQOCSCF-UHFFFAOYSA-N
Compound name
1,9-dihydroxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

50
Patents

354.1831 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.190376 186.8
[M+Na]+ 377.172318 196.2
[M-H]- 353.175824 190.8
[M+NH4]+ 372.216923 200.0
[M+K]+ 393.146258 191.8
[M+H-H2O]+ 337.180360 179.5
[M+HCOO]- 399.181301 203.0
[M+CH3COO]- 413.196951 214.6
[M+Na-2H]- 375.157766 192.4
[M]+ 354.18255142 193.5
[M]- 354.18364858 193.5
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