CID 69509

Dracorhodin

Structural Information

Molecular Formula
C17H14O3
SMILES
CC1=C(C2=CC=C(OC2=CC1=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C17H14O3/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKey
UCZJPQIEFFTIEV-UHFFFAOYSA-N
Compound name
5-methoxy-6-methyl-2-phenylchromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

248
Patents

266.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.101576 157.9
[M+Na]+ 289.083518 168.6
[M-H]- 265.087024 167.3
[M+NH4]+ 284.128123 174.6
[M+K]+ 305.057458 165.8
[M+H-H2O]+ 249.091560 150.1
[M+HCOO]- 311.092501 180.9
[M+CH3COO]- 325.108151 171.7
[M+Na-2H]- 287.068966 165.4
[M]+ 266.09375142 162.5
[M]- 266.09484858 162.5
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