CID 1116000

303092-92-4

Structural Information

Molecular Formula
C18H15N3O4S
SMILES
COC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C18H15N3O4S/c1-25-13-8-6-12(7-9-13)10-14-11-19-18(26-14)20-17(22)15-4-2-3-5-16(15)21(23)24/h2-9,11H,10H2,1H3,(H,19,20,22)
InChIKey
FKZBYFCTDREYMV-UHFFFAOYSA-N
Compound name
N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.07834 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.08562 180.9
[M+Na]+ 392.06756 193.9
[M+NH4]+ 387.11216 187.8
[M+K]+ 408.04150 189.8
[M-H]- 368.07106 187.4
[M+Na-2H]- 390.05301 189.5
[M]+ 369.07779 184.8
[M]- 369.07889 184.8
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.