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]+ 264.04375 153.2
[M+Na]+ 286.02569 164.9
[M+NH4]+ 281.07029 160.6
[M+K]+ 301.99963 162.1
[M-H]- 262.02919 157.5
[M+Na-2H]- 284.01114 159.8
[M]+ 263.03592 156.2
[M]- 263.03702 156.2
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