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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.