CID 609935

2-(1h-indol-3-yl)-2-phenylethan-1-amine

Structural Information

Molecular Formula
C16H16N2
SMILES
C1=CC=C(C=C1)C(CN)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H16N2/c17-10-14(12-6-2-1-3-7-12)15-11-18-16-9-5-4-8-13(15)16/h1-9,11,14,18H,10,17H2
InChIKey
HEBVBIGUNHPPLF-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

236.13135 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13863 153.0
[M+Na]+ 259.12057 160.5
[M-H]- 235.12407 157.7
[M+NH4]+ 254.16517 170.8
[M+K]+ 275.09451 154.4
[M+H-H2O]+ 219.12861 145.3
[M+HCOO]- 281.12955 175.4
[M+CH3COO]- 295.14520 164.9
[M+Na-2H]- 257.10602 158.6
[M]+ 236.13080 150.6
[M]- 236.13190 150.6
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

patents stripe