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 174.9
[M+Na]+ 360.04470 181.9
[M-H]- 336.04820 183.2
[M+NH4]+ 355.08930 188.0
[M+K]+ 376.01864 173.8
[M+H-H2O]+ 320.05274 172.3
[M+HCOO]- 382.05368 187.6
[M+CH3COO]- 396.06933 196.8
[M+Na-2H]- 358.03015 174.9
[M]+ 337.05493 174.3
[M]- 337.05603 174.3
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.