CID 92435

Morpholine, 4-[[2-(5-nitro-2-thienyl)-4-thiazolyl]methyl]-

Structural Information

Molecular Formula
C12H13N3O3S2
SMILES
C1COCCN1CC2=CSC(=N2)C3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C12H13N3O3S2/c16-15(17)11-2-1-10(20-11)12-13-9(8-19-12)7-14-3-5-18-6-4-14/h1-2,8H,3-7H2
InChIKey
ZFIBLEGGEPZAOM-UHFFFAOYSA-N
Compound name
4-[[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.03983 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.04711 160.0
[M+Na]+ 334.02905 171.7
[M+NH4]+ 329.07365 168.3
[M+K]+ 350.00299 168.5
[M-H]- 310.03255 166.6
[M+Na-2H]- 332.01450 166.0
[M]+ 311.03928 164.2
[M]- 311.04038 164.2
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

No patent data available for this compound.