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-methylpyridin-3-yl)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]+ 322.22778 181.6
[M+Na]+ 344.20972 191.3
[M-H]- 320.21322 188.7
[M+NH4]+ 339.25432 197.3
[M+K]+ 360.18366 185.9
[M+H-H2O]+ 304.21776 172.0
[M+HCOO]- 366.21870 204.3
[M+CH3COO]- 380.23435 219.4
[M+Na-2H]- 342.19517 183.1
[M]+ 321.21995 187.5
[M]- 321.22105 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.