CID 118660

1-methyl-2-phenyl-3-(thiazol-2-ylazo)-1h-indole

Structural Information

Molecular Formula
C18H14N4S
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)N=NC4=NC=CS4
InChI
InChI=1S/C18H14N4S/c1-22-15-10-6-5-9-14(15)16(20-21-18-19-11-12-23-18)17(22)13-7-3-2-4-8-13/h2-12H,1H3
InChIKey
RWSPUNNNJRHPOZ-UHFFFAOYSA-N
Compound name
(1-methyl-2-phenylindol-3-yl)-(1,3-thiazol-2-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.0939 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10118 171.3
[M+Na]+ 341.08312 187.0
[M+NH4]+ 336.12772 181.2
[M+K]+ 357.05706 179.0
[M-H]- 317.08662 179.5
[M+Na-2H]- 339.06857 182.8
[M]+ 318.09335 176.5
[M]- 318.09445 176.5
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

patents stripe