CID 118827280

27005-53-4

Structural Information

Molecular Formula
C19H23N2O
SMILES
C[N+](C)(C)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H23N2O/c1-21(2,3)13-17-16-7-5-6-8-18(16)20-19(17)14-9-11-15(22-4)12-10-14/h5-12,20H,13H2,1-4H3/q+1
InChIKey
LKFUBTVMXLXLTI-UHFFFAOYSA-N
Compound name
[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.18103 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18831 171.1
[M+Na]+ 318.17025 179.7
[M-H]- 294.17375 178.4
[M+NH4]+ 313.21485 188.1
[M+K]+ 334.14419 169.0
[M+H-H2O]+ 278.17829 166.0
[M+HCOO]- 340.17923 193.5
[M+CH3COO]- 354.19488 200.8
[M+Na-2H]- 316.15570 179.4
[M]+ 295.18048 173.1
[M]- 295.18158 173.1
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.