CID 215271

Benzamide, n-2-benzothiazolyl-4-nitro-

Structural Information

Molecular Formula
C14H9N3O3S
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H9N3O3S/c18-13(9-5-7-10(8-6-9)17(19)20)16-14-15-11-3-1-2-4-12(11)21-14/h1-8H,(H,15,16,18)
InChIKey
GOKOILBJPWVKQU-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

19
Patents

299.03647 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04375 162.0
[M+Na]+ 322.02569 169.8
[M-H]- 298.02919 169.2
[M+NH4]+ 317.07029 177.6
[M+K]+ 337.99963 161.1
[M+H-H2O]+ 282.03373 158.7
[M+HCOO]- 344.03467 183.3
[M+CH3COO]- 358.05032 195.4
[M+Na-2H]- 320.01114 168.9
[M]+ 299.03592 163.1
[M]- 299.03702 163.1
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