CID 9555839

Nsc641825

Structural Information

Molecular Formula
C19H15N3O5
SMILES
COC(=O)N/N=C/C1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H15N3O5/c1-26-19(23)21-20-12-15-17(22(24)25)16(13-8-4-2-5-9-13)18(27-15)14-10-6-3-7-11-14/h2-12H,1H3,(H,21,23)/b20-12+
InChIKey
PXLDZXDCESCFPH-UDWIEESQSA-N
Compound name
methyl N-[(E)-(3-nitro-4,5-diphenylfuran-2-yl)methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.10117 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10845 184.8
[M+Na]+ 388.09039 189.5
[M-H]- 364.09389 196.8
[M+NH4]+ 383.13499 195.9
[M+K]+ 404.06433 183.4
[M+H-H2O]+ 348.09843 179.5
[M+HCOO]- 410.09937 212.7
[M+CH3COO]- 424.11502 213.6
[M+Na-2H]- 386.07584 190.6
[M]+ 365.10062 186.3
[M]- 365.10172 186.3
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.