CID 207480

Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H15N3O2S2
SMILES
CCN(CC)CC1=CSC(=N1)C2=CC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C12H15N3O2S2/c1-3-14(4-2)7-9-8-18-12(13-9)10-5-6-11(19-10)15(16)17/h5-6,8H,3-4,7H2,1-2H3
InChIKey
QJJPTHRMPXFOSL-UHFFFAOYSA-N
Compound name
N-ethyl-N-[[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.06058 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06786 162.0
[M+Na]+ 320.04980 172.5
[M+NH4]+ 315.09440 170.3
[M+K]+ 336.02374 168.8
[M-H]- 296.05330 166.8
[M+Na-2H]- 318.03525 167.5
[M]+ 297.06003 165.5
[M]- 297.06113 165.5
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.