CID 355728

Nsc609943

Structural Information

Molecular Formula
C18H10N4O5S
SMILES
C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H10N4O5S/c23-13-9-15(27-14-7-6-11(22(25)26)8-12(13)14)16(24)19-18-21-20-17(28-18)10-4-2-1-3-5-10/h1-9H,(H,19,21,24)
InChIKey
BTRODNFJLJDEGM-UHFFFAOYSA-N
Compound name
6-nitro-4-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.0372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.04448 185.8
[M+Na]+ 417.02642 194.0
[M-H]- 393.02992 196.0
[M+NH4]+ 412.07102 194.3
[M+K]+ 433.00036 185.6
[M+H-H2O]+ 377.03446 180.5
[M+HCOO]- 439.03540 205.1
[M+CH3COO]- 453.05105 212.6
[M+Na-2H]- 415.01187 193.0
[M]+ 394.03665 189.1
[M]- 394.03775 189.1
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.