CID 472148

[(4-chlorophenyl)methyl](indol-3-ylmethyl)methylamine

Structural Information

Molecular Formula
C17H17ClN2
SMILES
CN(CC1=CC=C(C=C1)Cl)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H17ClN2/c1-20(11-13-6-8-15(18)9-7-13)12-14-10-19-17-5-3-2-4-16(14)17/h2-10,19H,11-12H2,1H3
InChIKey
PKCAMEONQBSVDP-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-(1H-indol-3-ylmethyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.10803 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11531 165.6
[M+Na]+ 307.09725 174.8
[M-H]- 283.10075 172.0
[M+NH4]+ 302.14185 183.5
[M+K]+ 323.07119 167.8
[M+H-H2O]+ 267.10529 157.7
[M+HCOO]- 329.10623 185.0
[M+CH3COO]- 343.12188 177.7
[M+Na-2H]- 305.08270 170.6
[M]+ 284.10748 168.9
[M]- 284.10858 168.9
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.