CID 42514

Indole, 5-chloro-1-((3-(dimethylamino)propyl)methylamino)-3-phenyl-, hydrochloride

Structural Information

Molecular Formula
C20H24ClN3
SMILES
CN(C)CCCN(C)N1C=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C20H24ClN3/c1-22(2)12-7-13-23(3)24-15-19(16-8-5-4-6-9-16)18-14-17(21)10-11-20(18)24/h4-6,8-11,14-15H,7,12-13H2,1-3H3
InChIKey
ISZQLFSWKMFRQX-UHFFFAOYSA-N
Compound name
N'-(5-chloro-3-phenylindol-1-yl)-N,N,N'-trimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

341.16586 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17314 184.6
[M+Na]+ 364.15508 192.8
[M-H]- 340.15858 193.5
[M+NH4]+ 359.19968 201.3
[M+K]+ 380.12902 187.4
[M+H-H2O]+ 324.16312 175.3
[M+HCOO]- 386.16406 205.8
[M+CH3COO]- 400.17971 223.2
[M+Na-2H]- 362.14053 187.2
[M]+ 341.16531 191.7
[M]- 341.16641 191.7
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

patents stripe