CID 108285

Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide

Structural Information

Molecular Formula
C14H17N2OS
SMILES
CSC(=[N+]1CCOCC1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H16N2OS/c1-18-14(16-6-8-17-9-7-16)12-10-15-13-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3/p+1
InChIKey
ZIMIBEWEQHNOCO-UHFFFAOYSA-O
Compound name
4-[1H-indol-3-yl(methylsulfanyl)methylidene]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.10617 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11345 157.5
[M+Na]+ 284.09539 164.7
[M-H]- 260.09889 161.8
[M+NH4]+ 279.13999 172.7
[M+K]+ 300.06933 155.0
[M+H-H2O]+ 244.10343 152.9
[M+HCOO]- 306.10437 169.2
[M+CH3COO]- 320.12002 182.0
[M+Na-2H]- 282.08084 161.8
[M]+ 261.10562 154.5
[M]- 261.10672 154.5
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.