CID 472108

N-(3-indolylmethyl)benzylamine

Structural Information

Molecular Formula
C16H16N2
SMILES
C1=CC=C(C=C1)CNCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H16N2/c1-2-6-13(7-3-1)10-17-11-14-12-18-16-9-5-4-8-15(14)16/h1-9,12,17-18H,10-11H2
InChIKey
HOAMAZXLUBYFFA-UHFFFAOYSA-N
Compound name
N-(1H-indol-3-ylmethyl)-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

236.13135 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13863 151.6
[M+Na]+ 259.12057 159.5
[M-H]- 235.12407 156.7
[M+NH4]+ 254.16517 169.7
[M+K]+ 275.09451 153.1
[M+H-H2O]+ 219.12861 143.7
[M+HCOO]- 281.12955 175.7
[M+CH3COO]- 295.14520 163.9
[M+Na-2H]- 257.10602 159.5
[M]+ 236.13080 150.8
[M]- 236.13190 150.8
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