CID 54593015

1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C12H13NOS
SMILES
CC1=C(SC(=N1)C2=CC=CC=C2)C(C)O
InChI
InChI=1S/C12H13NOS/c1-8-11(9(2)14)15-12(13-8)10-6-4-3-5-7-10/h3-7,9,14H,1-2H3
InChIKey
TWMPDBIPOIJWGA-UHFFFAOYSA-N
Compound name
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.0718 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07908 147.2
[M+Na]+ 242.06102 156.4
[M-H]- 218.06452 152.3
[M+NH4]+ 237.10562 166.5
[M+K]+ 258.03496 152.4
[M+H-H2O]+ 202.06906 140.9
[M+HCOO]- 264.07000 164.5
[M+CH3COO]- 278.08565 184.9
[M+Na-2H]- 240.04647 147.6
[M]+ 219.07125 149.1
[M]- 219.07235 149.1
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