CID 3040475

Brn 0429642

Structural Information

Molecular Formula
C21H27N3
SMILES
CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CNCCCN(C)C
InChI
InChI=1S/C21H27N3/c1-16-9-11-17(12-10-16)21-19(15-22-13-6-14-24(2)3)18-7-4-5-8-20(18)23-21/h4-5,7-12,22-23H,6,13-15H2,1-3H3
InChIKey
BJYXXNMYQCANCN-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[[2-(4-methylphenyl)-1H-indol-3-yl]methyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.227776 179.5
[M+Na]+ 344.209718 186.0
[M-H]- 320.213224 185.8
[M+NH4]+ 339.254323 194.9
[M+K]+ 360.183658 180.0
[M+H-H2O]+ 304.217760 170.4
[M+HCOO]- 366.218701 203.2
[M+CH3COO]- 380.234351 216.9
[M+Na-2H]- 342.195166 182.9
[M]+ 321.21995142 181.7
[M]- 321.22104858 181.7
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

No patent data available for this compound.