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 154.8
[M+Na]+ 286.02569 161.8
[M-H]- 262.02919 161.0
[M+NH4]+ 281.07029 171.0
[M+K]+ 301.99963 154.3
[M+H-H2O]+ 246.03373 151.7
[M+HCOO]- 308.03467 175.8
[M+CH3COO]- 322.05032 188.9
[M+Na-2H]- 284.01114 158.8
[M]+ 263.03592 154.5
[M]- 263.03702 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