CID 2120077

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

Structural Information

Molecular Formula
C12H17N3S
SMILES
CCCN1C(=CC(=C1C)C2=CSC(=N2)N)C
InChI
InChI=1S/C12H17N3S/c1-4-5-15-8(2)6-10(9(15)3)11-7-16-12(13)14-11/h6-7H,4-5H2,1-3H3,(H2,13,14)
InChIKey
ANNYAOZIWXFBSS-UHFFFAOYSA-N
Compound name
4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

235.11432 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12160 154.3
[M+Na]+ 258.10354 166.4
[M+NH4]+ 253.14814 162.7
[M+K]+ 274.07748 161.4
[M-H]- 234.10704 157.7
[M+Na-2H]- 256.08899 160.0
[M]+ 235.11377 157.4
[M]- 235.11487 157.4
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.