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 172.2
[M+Na]+ 341.08312 184.2
[M-H]- 317.08662 184.8
[M+NH4]+ 336.12772 190.3
[M+K]+ 357.05706 178.5
[M+H-H2O]+ 301.09116 163.3
[M+HCOO]- 363.09210 197.4
[M+CH3COO]- 377.10775 185.9
[M+Na-2H]- 339.06857 175.9
[M]+ 318.09335 178.5
[M]- 318.09445 178.5
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