CID 11275932

1-methyl-3-(2-thiazolyl)-1h-indole

Structural Information

Molecular Formula
C12H10N2S
SMILES
CN1C=C(C2=CC=CC=C21)C3=NC=CS3
InChI
InChI=1S/C12H10N2S/c1-14-8-10(12-13-6-7-15-12)9-4-2-3-5-11(9)14/h2-8H,1H3
InChIKey
UZRNJZSSOYHALG-UHFFFAOYSA-N
Compound name
2-(1-methylindol-3-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

214.05647 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06375 144.4
[M+Na]+ 237.04569 157.5
[M-H]- 213.04919 151.5
[M+NH4]+ 232.09029 166.5
[M+K]+ 253.01963 153.1
[M+H-H2O]+ 197.05373 138.2
[M+HCOO]- 259.05467 165.2
[M+CH3COO]- 273.07032 159.3
[M+Na-2H]- 235.03114 147.3
[M]+ 214.05592 149.4
[M]- 214.05702 149.4
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