CID 5274454

(e)-1-(4-hydroxy-1-methyl-indol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C19H17NO3
SMILES
CN1C=CC2=C1C=CC(=C2O)C(=O)/C=C/C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H17NO3/c1-20-12-11-15-17(20)9-8-16(19(15)22)18(21)10-5-13-3-6-14(23-2)7-4-13/h3-12,22H,1-2H3/b10-5+
InChIKey
LMLUFFODHDKJPT-BJMVGYQFSA-N
Compound name
(E)-1-(4-hydroxy-1-methylindol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.12085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 171.6
[M+Na]+ 330.11007 181.6
[M-H]- 306.11357 177.7
[M+NH4]+ 325.15467 187.6
[M+K]+ 346.08401 176.0
[M+H-H2O]+ 290.11811 163.8
[M+HCOO]- 352.11905 193.4
[M+CH3COO]- 366.13470 203.8
[M+Na-2H]- 328.09552 173.9
[M]+ 307.12030 175.8
[M]- 307.12140 175.8
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.