CID 383305

Nsc671418

Structural Information

Molecular Formula
C28H19N5O3Se
SMILES
C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)[Se]C(=NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])N2C5=CC=CC=C5
InChI
InChI=1S/C28H19N5O3Se/c34-26(20-16-18-24(19-17-20)33(35)36)31-28-32(23-14-8-3-9-15-23)25(29-21-10-4-1-5-11-21)27(37-28)30-22-12-6-2-7-13-22/h1-19H
InChIKey
NRISTGYMZRCEOS-UHFFFAOYSA-N
Compound name
4-nitro-N-[3-phenyl-4,5-bis(phenylimino)-1,3-selenazolidin-2-ylidene]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.0653 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.07258 227.9
[M+Na]+ 576.05452 228.5
[M-H]- 552.05802 244.0
[M+NH4]+ 571.09912 232.4
[M+K]+ 592.02846 218.2
[M+H-H2O]+ 536.06256 216.9
[M+HCOO]- 598.06350 253.7
[M+CH3COO]- 612.07915 245.0
[M+Na-2H]- 574.03997 230.1
[M]+ 553.06475 222.9
[M]- 553.06585 222.9
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.