CID 736535

3-(2-methyl-thiazol-4-yl)-phenylamine

Structural Information

Molecular Formula
C10H10N2S
SMILES
CC1=NC(=CS1)C2=CC(=CC=C2)N
InChI
InChI=1S/C10H10N2S/c1-7-12-10(6-13-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3
InChIKey
CPHZPWZSSBCSAH-UHFFFAOYSA-N
Compound name
3-(2-methyl-1,3-thiazol-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

212
Patents

190.05647 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.063746 138.2
[M+Na]+ 213.045688 148.4
[M-H]- 189.049194 144.3
[M+NH4]+ 208.090293 158.9
[M+K]+ 229.019628 144.1
[M+H-H2O]+ 173.053730 131.6
[M+HCOO]- 235.054671 158.8
[M+CH3COO]- 249.070321 152.3
[M+Na-2H]- 211.031136 140.7
[M]+ 190.05592142 138.7
[M]- 190.05701858 138.7
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