CID 53104

Indole, 1-(bis(3-(dimethylamino)propyl)amino)-5-methyl-3-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C25H36N4
SMILES
CC1=CC2=C(C=C1)N(C=C2C3=CC=CC=C3)N(CCCN(C)C)CCCN(C)C
InChI
InChI=1S/C25H36N4/c1-21-13-14-25-23(19-21)24(22-11-7-6-8-12-22)20-29(25)28(17-9-15-26(2)3)18-10-16-27(4)5/h6-8,11-14,19-20H,9-10,15-18H2,1-5H3
InChIKey
QDXJPEJFFBOJJA-UHFFFAOYSA-N
Compound name
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(5-methyl-3-phenylindol-1-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.294 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.30128 203.3
[M+Na]+ 415.28322 207.6
[M-H]- 391.28672 213.0
[M+NH4]+ 410.32782 217.2
[M+K]+ 431.25716 204.4
[M+H-H2O]+ 375.29126 192.2
[M+HCOO]- 437.29220 228.9
[M+CH3COO]- 451.30785 242.6
[M+Na-2H]- 413.26867 203.8
[M]+ 392.29345 210.3
[M]- 392.29455 210.3
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.