CID 17756418

(1-methyl-1h-indol-5-yl)-(3,4,5-trimethoxy-phenyl)-methanone

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

1
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

patents stripe