CID 472115

1-(3,4-dichlorophenyl)-n-(1h-indol-3-ylmethyl)methanamine

Structural Information

Molecular Formula
C16H14Cl2N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CNCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2/c17-14-6-5-11(7-15(14)18)8-19-9-12-10-20-16-4-2-1-3-13(12)16/h1-7,10,19-20H,8-9H2
InChIKey
LNCZYVSICJDPPU-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-N-(1H-indol-3-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.0534 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06068 167.8
[M+Na]+ 327.04262 178.6
[M-H]- 303.04612 172.3
[M+NH4]+ 322.08722 184.9
[M+K]+ 343.01656 169.4
[M+H-H2O]+ 287.05066 160.9
[M+HCOO]- 349.05160 181.8
[M+CH3COO]- 363.06725 179.3
[M+Na-2H]- 325.02807 172.4
[M]+ 304.05285 171.2
[M]- 304.05395 171.2
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

No patent data available for this compound.