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 174.9
[M+Na]+ 348.12062 185.6
[M-H]- 324.12412 182.6
[M+NH4]+ 343.16522 191.0
[M+K]+ 364.09456 182.2
[M+H-H2O]+ 308.12866 166.8
[M+HCOO]- 370.12960 198.1
[M+CH3COO]- 384.14525 211.0
[M+Na-2H]- 346.10607 177.0
[M]+ 325.13085 183.5
[M]- 325.13195 183.5
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

No patent data available for this compound.