CID 203641

Brn 0404097

Structural Information

Molecular Formula
C17H20N2
SMILES
CC1C(N(C2=CC=CC=C12)CCC3=CC=NC=C3)C
InChI
InChI=1S/C17H20N2/c1-13-14(2)19(17-6-4-3-5-16(13)17)12-9-15-7-10-18-11-8-15/h3-8,10-11,13-14H,9,12H2,1-2H3
InChIKey
KLWAURRNVDIGJR-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.16264 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 160.9
[M+Na]+ 275.15186 169.4
[M-H]- 251.15536 165.7
[M+NH4]+ 270.19646 178.4
[M+K]+ 291.12580 164.0
[M+H-H2O]+ 235.15990 152.0
[M+HCOO]- 297.16084 180.8
[M+CH3COO]- 311.17649 172.7
[M+Na-2H]- 273.13731 164.3
[M]+ 252.16209 161.2
[M]- 252.16319 161.2
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.