CID 12205201

N4w8ke1723

Structural Information

Molecular Formula
C14H17N2S
SMILES
CSC(=[N+]1CCCC1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H16N2S/c1-17-14(16-8-4-5-9-16)12-10-15-13-7-3-2-6-11(12)13/h2-3,6-7,10H,4-5,8-9H2,1H3/p+1
InChIKey
QTUATLRSXUHFMG-UHFFFAOYSA-O
Compound name
3-[methylsulfanyl(pyrrolidin-1-ium-1-ylidene)methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11125 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11853 157.0
[M+Na]+ 268.10047 165.4
[M-H]- 244.10397 161.6
[M+NH4]+ 263.14507 176.3
[M+K]+ 284.07441 154.9
[M+H-H2O]+ 228.10851 153.1
[M+HCOO]- 290.10945 171.6
[M+CH3COO]- 304.12510 180.0
[M+Na-2H]- 266.08592 158.7
[M]+ 245.11070 154.7
[M]- 245.11180 154.7
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.