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

literature stripe

Patent stripe

patents stripe