CID 9587897

(?,e)-n-((2-(2-(5-nitro-2-thienyl)ethenyl)-4-thiazolyl)methylene)-4-morpholinamine

Structural Information

Molecular Formula
C14H14N4O3S2
SMILES
C1COCCN1/N=C/C2=CSC(=N2)/C=C/C3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C14H14N4O3S2/c19-18(20)14-4-2-12(23-14)1-3-13-16-11(10-22-13)9-15-17-5-7-21-8-6-17/h1-4,9-10H,5-8H2/b3-1+,15-9+
InChIKey
HHGLNLHXKXDDDD-MLVDXBBYSA-N
Compound name
(E)-N-morpholin-4-yl-1-[2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]-1,3-thiazol-4-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05072 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.05800 178.2
[M+Na]+ 373.03994 184.9
[M-H]- 349.04344 187.6
[M+NH4]+ 368.08454 190.9
[M+K]+ 389.01388 176.7
[M+H-H2O]+ 333.04798 174.8
[M+HCOO]- 395.04892 193.2
[M+CH3COO]- 409.06457 202.5
[M+Na-2H]- 371.02539 179.4
[M]+ 350.05017 177.7
[M]- 350.05127 177.7
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.