CID 739510

312747-21-0

Structural Information

Molecular Formula
C14H15N3O3S
SMILES
C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O3S/c18-13(9-4-2-1-3-5-9)16-14-15-11-7-6-10(17(19)20)8-12(11)21-14/h6-9H,1-5H2,(H,15,16,18)
InChIKey
VMAKFFKOZSLHDW-UHFFFAOYSA-N
Compound name
N-(6-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

305.0834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09068 161.7
[M+Na]+ 328.07262 172.9
[M+NH4]+ 323.11722 169.9
[M+K]+ 344.04656 169.5
[M-H]- 304.07612 166.7
[M+Na-2H]- 326.05807 167.7
[M]+ 305.08285 164.8
[M]- 305.08395 164.8
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

No patent data available for this compound.