CID 17756418

Mpt0b002

Structural Information

Molecular Formula
C19H19NO4
SMILES
CN1C=CC2=C1C=CC(=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H19NO4/c1-20-8-7-12-9-13(5-6-15(12)20)18(21)14-10-16(22-2)19(24-4)17(11-14)23-3/h5-11H,1-4H3
InChIKey
ZACNDXXBCBNGMV-UHFFFAOYSA-N
Compound name
(1-methylindol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

325.1314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 175.2
[M+Na]+ 348.12062 190.4
[M+NH4]+ 343.16522 182.5
[M+K]+ 364.09456 185.1
[M-H]- 324.12412 178.7
[M+Na-2H]- 346.10607 182.1
[M]+ 325.13085 178.4
[M]- 325.13195 178.4
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

No patent data available for this compound.