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]+ 233.07431 150.2
[M+Na]+ 255.05625 159.6
[M-H]- 231.05975 158.0
[M+NH4]+ 250.10085 169.9
[M+K]+ 271.03019 156.6
[M+H-H2O]+ 215.06429 142.9
[M+HCOO]- 277.06523 171.6
[M+CH3COO]- 291.08088 194.0
[M+Na-2H]- 253.04170 152.0
[M]+ 232.06648 154.4
[M]- 232.06758 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.