CID 2566124

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

Structural Information

Molecular Formula
C10H13N3S
SMILES
CC1=CC(=C(N1C)C)C2=CSC(=N2)N
InChI
InChI=1S/C10H13N3S/c1-6-4-8(7(2)13(6)3)9-5-14-10(11)12-9/h4-5H,1-3H3,(H2,11,12)
InChIKey
HYEVYINJVDHXMC-UHFFFAOYSA-N
Compound name
4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

207.08302 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09030 143.4
[M+Na]+ 230.07224 156.4
[M-H]- 206.07574 149.6
[M+NH4]+ 225.11684 164.8
[M+K]+ 246.04618 152.5
[M+H-H2O]+ 190.08028 137.2
[M+HCOO]- 252.08122 165.0
[M+CH3COO]- 266.09687 158.3
[M+Na-2H]- 228.05769 142.8
[M]+ 207.08247 147.7
[M]- 207.08357 147.7
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.