CID 472150

Bis(indol-3-ylmethyl)methylamine

Structural Information

Molecular Formula
C19H19N3
SMILES
CN(CC1=CNC2=CC=CC=C21)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C19H19N3/c1-22(12-14-10-20-18-8-4-2-6-16(14)18)13-15-11-21-19-9-5-3-7-17(15)19/h2-11,20-21H,12-13H2,1H3
InChIKey
QDRQSTXYRCHJRA-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-N-(1H-indol-3-ylmethyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

289.1579 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16518 166.2
[M+Na]+ 312.14712 175.4
[M-H]- 288.15062 172.0
[M+NH4]+ 307.19172 183.8
[M+K]+ 328.12106 168.5
[M+H-H2O]+ 272.15516 157.9
[M+HCOO]- 334.15610 188.9
[M+CH3COO]- 348.17175 178.0
[M+Na-2H]- 310.13257 171.4
[M]+ 289.15735 168.0
[M]- 289.15845 168.0
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