CID 9860595

Alx-0646

Structural Information

Molecular Formula
C18H25N3
SMILES
CN1CCC(=CC1)C2=CC3=C(C=C2)NC=C3CCN(C)C
InChI
InChI=1S/C18H25N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,19H,6,8-11H2,1-3H3
InChIKey
RQTZMTMTBWAQAI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

85
Patents

283.20483 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.212106 169.5
[M+Na]+ 306.194048 176.3
[M-H]- 282.197554 174.2
[M+NH4]+ 301.238653 185.4
[M+K]+ 322.167988 171.1
[M+H-H2O]+ 266.202090 160.3
[M+HCOO]- 328.203031 189.0
[M+CH3COO]- 342.218681 180.2
[M+Na-2H]- 304.179496 171.8
[M]+ 283.20428142 169.0
[M]- 283.20537858 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe