CID 53635

77248-66-9

Structural Information

Molecular Formula
C14H16N2S
SMILES
CSC1=CC2=C(C=C1)NC=C2C3=CCNCC3
InChI
InChI=1S/C14H16N2S/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
InChIKey
QZVJPKRZMLKDKI-UHFFFAOYSA-N
Compound name
5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

244.10342 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11070 152.8
[M+Na]+ 267.09264 161.8
[M-H]- 243.09614 155.5
[M+NH4]+ 262.13724 170.1
[M+K]+ 283.06658 154.9
[M+H-H2O]+ 227.10068 146.0
[M+HCOO]- 289.10162 166.2
[M+CH3COO]- 303.11727 164.1
[M+Na-2H]- 265.07809 155.1
[M]+ 244.10287 151.0
[M]- 244.10397 151.0
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

patents stripe