CID 42508

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

Structural Information

Molecular Formula
C20H25N3
SMILES
CN(C)CCCN(C)N1C=C(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C20H25N3/c1-21(2)14-9-15-22(3)23-16-19(17-10-5-4-6-11-17)18-12-7-8-13-20(18)23/h4-8,10-13,16H,9,14-15H2,1-3H3
InChIKey
XPMDVDVUDWPNMJ-UHFFFAOYSA-N
Compound name
N,N,N'-trimethyl-N'-(3-phenylindol-1-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.20483 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21211 175.8
[M+Na]+ 330.19405 182.3
[M-H]- 306.19755 184.7
[M+NH4]+ 325.23865 192.8
[M+K]+ 346.16799 178.7
[M+H-H2O]+ 290.20209 166.0
[M+HCOO]- 352.20303 201.8
[M+CH3COO]- 366.21868 218.6
[M+Na-2H]- 328.17950 179.9
[M]+ 307.20428 180.2
[M]- 307.20538 180.2
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