CID 383306

Nsc671419

Structural Information

Molecular Formula
C28H19ClN4OSe
SMILES
C1=CC=C(C=C1)C(=O)N=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)[Se]2)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C28H19ClN4OSe/c29-21-16-18-24(19-17-21)33-25(30-22-12-6-2-7-13-22)27(31-23-14-8-3-9-15-23)35-28(33)32-26(34)20-10-4-1-5-11-20/h1-19H
InChIKey
WEYFXIVBZSIZGN-UHFFFAOYSA-N
Compound name
N-[3-(4-chlorophenyl)-4,5-bis(phenylimino)-1,3-selenazolidin-2-ylidene]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.04126 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.04854 230.6
[M+Na]+ 565.03048 235.6
[M-H]- 541.03398 246.9
[M+NH4]+ 560.07508 238.3
[M+K]+ 581.00442 226.7
[M+H-H2O]+ 525.03852 216.0
[M+HCOO]- 587.03946 251.7
[M+CH3COO]- 601.05511 238.1
[M+Na-2H]- 563.01593 229.6
[M]+ 542.04071 230.3
[M]- 542.04181 230.3
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.