CID 472109

1-(4-chlorophenyl)-n-(1h-indol-3-ylmethyl)methanamine

Structural Information

Molecular Formula
C16H15ClN2
SMILES
C1=CC=C2C(=C1)C(=CN2)CNCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H15ClN2/c17-14-7-5-12(6-8-14)9-18-10-13-11-19-16-4-2-1-3-15(13)16/h1-8,11,18-19H,9-10H2
InChIKey
SZFKUBXXBLUGJD-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-(1H-indol-3-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.09238 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09966 160.1
[M+Na]+ 293.08160 169.8
[M-H]- 269.08510 165.3
[M+NH4]+ 288.12620 178.0
[M+K]+ 309.05554 161.7
[M+H-H2O]+ 253.08964 152.8
[M+HCOO]- 315.09058 179.5
[M+CH3COO]- 329.10623 172.3
[M+Na-2H]- 291.06705 166.5
[M]+ 270.09183 161.9
[M]- 270.09293 161.9
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.