CID 6438288

4-morpholinomethyl-2-(5-nitro-2-thienyl)vinylthiazole, hydrochloride

Structural Information

Molecular Formula
C14H15N3O3S2
SMILES
C1COCCN1CC2=CSC(=N2)/C=C/C3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O3S2/c18-17(19)14-4-2-12(22-14)1-3-13-15-11(10-21-13)9-16-5-7-20-8-6-16/h1-4,10H,5-9H2/b3-1+
InChIKey
ZMIYYMAOOXHRLU-HNQUOIGGSA-N
Compound name
4-[[2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]-1,3-thiazol-4-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.05548 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06276 168.6
[M+Na]+ 360.04470 179.9
[M+NH4]+ 355.08930 176.2
[M+K]+ 376.01864 176.1
[M-H]- 336.04820 174.8
[M+Na-2H]- 358.03015 173.9
[M]+ 337.05493 172.6
[M]- 337.05603 172.6
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.