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]+ 322.22778 179.5
[M+Na]+ 344.20972 186.0
[M-H]- 320.21322 185.8
[M+NH4]+ 339.25432 194.9
[M+K]+ 360.18366 180.0
[M+H-H2O]+ 304.21776 170.4
[M+HCOO]- 366.21870 203.2
[M+CH3COO]- 380.23435 216.9
[M+Na-2H]- 342.19517 182.9
[M]+ 321.21995 181.7
[M]- 321.22105 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.