CID 383304

Nsc671417

Structural Information

Molecular Formula
C28H20N4OSe
SMILES
C1=CC=C(C=C1)C(=O)N=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)[Se]2)C5=CC=CC=C5
InChI
InChI=1S/C28H20N4OSe/c33-26(21-13-5-1-6-14-21)31-28-32(24-19-11-4-12-20-24)25(29-22-15-7-2-8-16-22)27(34-28)30-23-17-9-3-10-18-23/h1-20H
InChIKey
LEKWRNMFYBWLJW-UHFFFAOYSA-N
Compound name
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

508.08023 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.08751 219.2
[M+Na]+ 531.06945 222.4
[M-H]- 507.07295 235.5
[M+NH4]+ 526.11405 227.0
[M+K]+ 547.04339 214.9
[M+H-H2O]+ 491.07749 204.4
[M+HCOO]- 553.07843 244.9
[M+CH3COO]- 567.09408 226.9
[M+Na-2H]- 529.05490 219.8
[M]+ 508.07968 215.6
[M]- 508.08078 215.6
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.