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 152.3
[M+Na]+ 258.10354 164.3
[M-H]- 234.10704 158.1
[M+NH4]+ 253.14814 172.5
[M+K]+ 274.07748 159.9
[M+H-H2O]+ 218.11158 145.6
[M+HCOO]- 280.11252 173.2
[M+CH3COO]- 294.12817 193.8
[M+Na-2H]- 256.08899 150.6
[M]+ 235.11377 157.2
[M]- 235.11487 157.2
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.