CID 2452089

4-[1-(4-methoxyphenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride

Structural Information

Molecular Formula
C16H17N3OS
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CSC(=N3)N
InChI
InChI=1S/C16H17N3OS/c1-10-8-14(15-9-21-16(17)18-15)11(2)19(10)12-4-6-13(20-3)7-5-12/h4-9H,1-3H3,(H2,17,18)
InChIKey
OHUSIZLKFDJJCN-UHFFFAOYSA-N
Compound name
4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

299.10922 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11650 168.3
[M+Na]+ 322.09844 180.7
[M-H]- 298.10194 177.7
[M+NH4]+ 317.14304 185.6
[M+K]+ 338.07238 175.2
[M+H-H2O]+ 282.10648 160.8
[M+HCOO]- 344.10742 189.7
[M+CH3COO]- 358.12307 181.7
[M+Na-2H]- 320.08389 166.4
[M]+ 299.10867 174.1
[M]- 299.10977 174.1
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

No patent data available for this compound.