CID 14570024

2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C12H12N2OS
SMILES
CN(C)C1=NC(=C(S1)C=O)C2=CC=CC=C2
InChI
InChI=1S/C12H12N2OS/c1-14(2)12-13-11(10(8-15)16-12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
HGVBOPKWOUTSAI-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.06703 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.074306 150.2
[M+Na]+ 255.056248 159.6
[M-H]- 231.059754 158.0
[M+NH4]+ 250.100853 169.9
[M+K]+ 271.030188 156.6
[M+H-H2O]+ 215.064290 142.9
[M+HCOO]- 277.065231 171.6
[M+CH3COO]- 291.080881 194.0
[M+Na-2H]- 253.041696 152.0
[M]+ 232.06648142 154.4
[M]- 232.06757858 154.4
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

No patent data available for this compound.