CID 9579115

(1e)-1-(2-pyridinyl)ethanone n-phenylselenosemicarbazone

Structural Information

Molecular Formula
C14H13N4Se
SMILES
C/C(=N\NC(=NC1=CC=CC=C1)[Se])/C2=CC=CC=N2
InChI
InChI=1S/C14H13N4Se/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12/h2-10H,1H3,(H,16,18)/b17-11+
InChIKey
ZJDBRKAWVGHDCG-GZTJUZNOSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.03055 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.03783 170.5
[M+Na]+ 340.01977 174.7
[M-H]- 316.02327 177.5
[M+NH4]+ 335.06437 185.4
[M+K]+ 355.99371 171.5
[M+H-H2O]+ 300.02781 159.9
[M+HCOO]- 362.02875 197.0
[M+CH3COO]- 376.04440 207.8
[M+Na-2H]- 338.00522 176.8
[M]+ 317.03000 169.2
[M]- 317.03110 169.2
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.