CID 77365

2-methyl-4,5-diphenylthiazole

Structural Information

Molecular Formula
C16H13NS
SMILES
CC1=NC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H13NS/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey
ZFYWCVZNRMSXBT-UHFFFAOYSA-N
Compound name
2-methyl-4,5-diphenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

124
Patents

251.07687 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08415 155.3
[M+Na]+ 274.06609 165.4
[M-H]- 250.06959 164.8
[M+NH4]+ 269.11069 173.8
[M+K]+ 290.04003 159.6
[M+H-H2O]+ 234.07413 147.7
[M+HCOO]- 296.07507 175.3
[M+CH3COO]- 310.09072 168.7
[M+Na-2H]- 272.05154 157.5
[M]+ 251.07632 157.2
[M]- 251.07742 157.2
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