CID 365334

Nsc632925

Structural Information

Molecular Formula
C16H12N4O6S
SMILES
C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C16H12N4O6S/c21-15(8-14-16(22)18-11-3-1-2-4-13(11)27-14)17-10-6-5-9(19(23)24)7-12(10)20(25)26/h1-7,14H,8H2,(H,17,21)(H,18,22)
InChIKey
FEUDCKTXWIBMCA-UHFFFAOYSA-N
Compound name
N-(2,4-dinitrophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.04776 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.05504 179.5
[M+Na]+ 411.03698 181.0
[M-H]- 387.04048 183.2
[M+NH4]+ 406.08158 186.6
[M+K]+ 427.01092 168.0
[M+H-H2O]+ 371.04502 179.0
[M+HCOO]- 433.04596 193.6
[M+CH3COO]- 447.06161 205.4
[M+Na-2H]- 409.02243 186.7
[M]+ 388.04721 173.4
[M]- 388.04831 173.4
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

No patent data available for this compound.