CID 3113439

4-methoxy-n-(5-nitro-1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula
C11H9N3O4S
SMILES
COC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O4S/c1-18-8-4-2-7(3-5-8)10(15)13-11-12-6-9(19-11)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKey
DBHUGAVWJOUDKM-UHFFFAOYSA-N
Compound name
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

279.03137 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.03865 157.9
[M+Na]+ 302.02059 164.6
[M-H]- 278.02409 164.1
[M+NH4]+ 297.06519 173.3
[M+K]+ 317.99453 157.6
[M+H-H2O]+ 262.02863 154.6
[M+HCOO]- 324.02957 179.1
[M+CH3COO]- 338.04522 191.0
[M+Na-2H]- 300.00604 162.2
[M]+ 279.03082 158.8
[M]- 279.03192 158.8
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

patents stripe