CID 26208

Of-2495

Structural Information

Molecular Formula
C20H24N2O
SMILES
CC1=CC=CC=C1N2C(=C(C3=C2C=CC(=C3)OC)CN(C)C)C
InChI
InChI=1S/C20H24N2O/c1-14-8-6-7-9-19(14)22-15(2)18(13-21(3)4)17-12-16(23-5)10-11-20(17)22/h6-12H,13H2,1-5H3
InChIKey
MEGQFJXFRDVFFY-UHFFFAOYSA-N
Compound name
1-[5-methoxy-2-methyl-1-(2-methylphenyl)indol-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 175.4
[M+Na]+ 331.17809 185.4
[M-H]- 307.18159 184.2
[M+NH4]+ 326.22269 193.0
[M+K]+ 347.15203 181.1
[M+H-H2O]+ 291.18613 166.8
[M+HCOO]- 353.18707 200.0
[M+CH3COO]- 367.20272 215.9
[M+Na-2H]- 329.16354 177.6
[M]+ 308.18832 181.9
[M]- 308.18942 181.9
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.