CID 749219

2-methyl-3-nitro-n-(1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula
C11H9N3O3S
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC=CS2
InChI
InChI=1S/C11H9N3O3S/c1-7-8(3-2-4-9(7)14(16)17)10(15)13-11-12-5-6-18-11/h2-6H,1H3,(H,12,13,15)
InChIKey
LJYWRCCNCYQHGE-UHFFFAOYSA-N
Compound name
2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.03647 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.043746 154.8
[M+Na]+ 286.025688 161.8
[M-H]- 262.029194 161.0
[M+NH4]+ 281.070293 171.0
[M+K]+ 301.999628 154.3
[M+H-H2O]+ 246.033730 151.7
[M+HCOO]- 308.034671 175.8
[M+CH3COO]- 322.050321 188.9
[M+Na-2H]- 284.011136 158.8
[M]+ 263.03592142 154.5
[M]- 263.03701858 154.5
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

patents stripe