CID 14033983

Karanjachromene

Structural Information

Molecular Formula
C21H18O4
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC(=C(C3=O)OC)C4=CC=CC=C4)C
InChI
InChI=1S/C21H18O4/c1-21(2)12-11-14-16(25-21)10-9-15-17(22)20(23-3)18(24-19(14)15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKey
QCLBGWSAIHOGCA-UHFFFAOYSA-N
Compound name
3-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

20
Patents

334.1205 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12778 177.9
[M+Na]+ 357.10972 189.1
[M-H]- 333.11322 188.7
[M+NH4]+ 352.15432 193.3
[M+K]+ 373.08366 187.1
[M+H-H2O]+ 317.11776 168.7
[M+HCOO]- 379.11870 196.7
[M+CH3COO]- 393.13435 190.5
[M+Na-2H]- 355.09517 185.8
[M]+ 334.11995 183.7
[M]- 334.12105 183.7
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