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]+ 220.079076 147.2
[M+Na]+ 242.061018 156.4
[M-H]- 218.064524 152.3
[M+NH4]+ 237.105623 166.5
[M+K]+ 258.034958 152.4
[M+H-H2O]+ 202.069060 140.9
[M+HCOO]- 264.070001 164.5
[M+CH3COO]- 278.085651 184.9
[M+Na-2H]- 240.046466 147.6
[M]+ 219.07125142 149.1
[M]- 219.07234858 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