CID 41503

Alpha-((benzylamino)methyl)-1-methylindole-3-methanol

Structural Information

Molecular Formula
C18H20N2O
SMILES
CN1C=C(C2=CC=CC=C21)C(CNCC3=CC=CC=C3)O
InChI
InChI=1S/C18H20N2O/c1-20-13-16(15-9-5-6-10-17(15)20)18(21)12-19-11-14-7-3-2-4-8-14/h2-10,13,18-19,21H,11-12H2,1H3
InChIKey
LUVRZHFKFRDWDK-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-(1-methylindol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.15756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 165.4
[M+Na]+ 303.14678 172.8
[M-H]- 279.15028 170.7
[M+NH4]+ 298.19138 181.9
[M+K]+ 319.12072 167.2
[M+H-H2O]+ 263.15482 157.2
[M+HCOO]- 325.15576 187.9
[M+CH3COO]- 339.17141 176.9
[M+Na-2H]- 301.13223 170.2
[M]+ 280.15701 166.5
[M]- 280.15811 166.5
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

patents stripe