CID 30218

20675-08-5

Structural Information

Molecular Formula
C21H27N3
SMILES
CC1=CC2=C(C=C1)N(C(=C2CN(C)C)C)CCC3=CN=C(C=C3)C
InChI
InChI=1S/C21H27N3/c1-15-6-9-21-19(12-15)20(14-23(4)5)17(3)24(21)11-10-18-8-7-16(2)22-13-18/h6-9,12-13H,10-11,14H2,1-5H3
InChIKey
VHUZBISWKICPRH-UHFFFAOYSA-N
Compound name
1-[2,5-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indol-3-yl]-N,N-dimethylmethanamine
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 181.6
[M+Na]+ 344.209718 191.3
[M-H]- 320.213224 188.7
[M+NH4]+ 339.254323 197.3
[M+K]+ 360.183658 185.9
[M+H-H2O]+ 304.217760 172.0
[M+HCOO]- 366.218701 204.3
[M+CH3COO]- 380.234351 219.4
[M+Na-2H]- 342.195166 183.1
[M]+ 321.21995142 187.5
[M]- 321.22104858 187.5
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.