CID 10359957

Bpr-0l075

Structural Information

Molecular Formula
C19H19NO5
SMILES
COC1=CC2=C(C=C1)C(=CN2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H19NO5/c1-22-12-5-6-13-14(10-20-15(13)9-12)18(21)11-7-16(23-2)19(25-4)17(8-11)24-3/h5-10,20H,1-4H3
InChIKey
UZJVBXKFBQNDTQ-UHFFFAOYSA-N
Compound name
(6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

77
Patents

341.1263 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 177.9
[M+Na]+ 364.11552 187.8
[M-H]- 340.11902 184.2
[M+NH4]+ 359.16012 192.5
[M+K]+ 380.08946 184.4
[M+H-H2O]+ 324.12356 169.8
[M+HCOO]- 386.12450 199.7
[M+CH3COO]- 400.14015 210.8
[M+Na-2H]- 362.10097 179.7
[M]+ 341.12575 186.1
[M]- 341.12685 186.1
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