CID 25203443

Dalpatein

Structural Information

Molecular Formula
C18H14O7
SMILES
COC1=CC2=C(C=C1C3=COC4=CC(=C(C=C4C3=O)OC)O)OCO2
InChI
InChI=1S/C18H14O7/c1-21-13-6-17-16(24-8-25-17)3-9(13)11-7-23-14-5-12(19)15(22-2)4-10(14)18(11)20/h3-7,19H,8H2,1-2H3
InChIKey
GYUPEJCNVAKZSU-UHFFFAOYSA-N
Compound name
7-hydroxy-6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

9
Patents

342.07394 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08122 173.7
[M+Na]+ 365.06316 185.0
[M-H]- 341.06666 184.6
[M+NH4]+ 360.10776 186.7
[M+K]+ 381.03710 185.5
[M+H-H2O]+ 325.07120 167.2
[M+HCOO]- 387.07214 192.5
[M+CH3COO]- 401.08779 186.8
[M+Na-2H]- 363.04861 179.6
[M]+ 342.07339 182.9
[M]- 342.07449 182.9
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