CID 6507247

Brn 0568954

Structural Information

Molecular Formula
C13H14N4O3S2
SMILES
C/C(=N/N1CCOCC1)/C2=CSC(=N2)C3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C13H14N4O3S2/c1-9(15-16-4-6-20-7-5-16)10-8-21-13(14-10)11-2-3-12(22-11)17(18)19/h2-3,8H,4-7H2,1H3/b15-9-
InChIKey
CCWHGFFPCNHKKS-DHDCSXOGSA-N
Compound name
(Z)-N-morpholin-4-yl-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.05072 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05800 166.9
[M+Na]+ 361.03994 177.3
[M+NH4]+ 356.08454 174.4
[M+K]+ 377.01388 174.8
[M-H]- 337.04344 173.7
[M+Na-2H]- 359.02539 172.8
[M]+ 338.05017 170.8
[M]- 338.05127 170.8
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.