CID 3745859

2-(1h-indol-3-yl)-2-(thiophen-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C14H14N2S
SMILES
C1=CC=C2C(=C1)C(=CN2)C(CN)C3=CC=CS3
InChI
InChI=1S/C14H14N2S/c15-8-11(14-6-3-7-17-14)12-9-16-13-5-2-1-4-10(12)13/h1-7,9,11,16H,8,15H2
InChIKey
QLJAEMUUZBSJJF-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.08777 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09505 152.8
[M+Na]+ 265.07699 162.3
[M-H]- 241.08049 158.7
[M+NH4]+ 260.12159 173.4
[M+K]+ 281.05093 156.7
[M+H-H2O]+ 225.08503 146.9
[M+HCOO]- 287.08597 172.1
[M+CH3COO]- 301.10162 165.6
[M+Na-2H]- 263.06244 154.2
[M]+ 242.08722 153.7
[M]- 242.08832 153.7
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