CID 301344

40899-81-8

Structural Information

Molecular Formula
C18H17NO3
SMILES
COCN1C2=CC=CC=C2C=C1C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H17NO3/c1-21-12-19-16-6-4-3-5-14(16)11-17(19)18(20)13-7-9-15(22-2)10-8-13/h3-11H,12H2,1-2H3
InChIKey
ZWSMPCCPJOPCEL-UHFFFAOYSA-N
Compound name
[1-(methoxymethyl)indol-2-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 167.7
[M+Na]+ 318.11007 177.3
[M-H]- 294.11357 174.8
[M+NH4]+ 313.15467 184.6
[M+K]+ 334.08401 173.3
[M+H-H2O]+ 278.11811 159.5
[M+HCOO]- 340.11905 191.2
[M+CH3COO]- 354.13470 203.5
[M+Na-2H]- 316.09552 171.6
[M]+ 295.12030 173.7
[M]- 295.12140 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.