CID 121634

Thiazole, 4-((2-hydroxyethyl)methylaminomethyl)-2-(5-nitro-2-thienyl)-, hydrochloride

Structural Information

Molecular Formula
C11H13N3O3S2
SMILES
CN(CCO)CC1=CSC(=N1)C2=CC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C11H13N3O3S2/c1-13(4-5-15)6-8-7-18-11(12-8)9-2-3-10(19-9)14(16)17/h2-3,7,15H,4-6H2,1H3
InChIKey
CROXJGGNQVONQB-UHFFFAOYSA-N
Compound name
2-[methyl-[[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.03983 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04711 164.1
[M+Na]+ 322.02905 171.8
[M-H]- 298.03255 170.7
[M+NH4]+ 317.07365 181.1
[M+K]+ 338.00299 164.1
[M+H-H2O]+ 282.03709 161.7
[M+HCOO]- 344.03803 181.3
[M+CH3COO]- 358.05368 195.1
[M+Na-2H]- 320.01450 165.4
[M]+ 299.03928 167.3
[M]- 299.04038 167.3
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.