CID 3012960

2-(n-phenylanilino)-[1,2]selenazolo[5,4-b]pyridin-3-one

Structural Information

Molecular Formula
C18H13N3OSe
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)N3C(=O)C4=C([Se]3)N=CC=C4
InChI
InChI=1S/C18H13N3OSe/c22-18-16-12-7-13-19-17(16)23-21(18)20(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKey
CDEUZIZHKJRGOH-UHFFFAOYSA-N
Compound name
2-(N-phenylanilino)-[1,2]selenazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.02237 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.02965 179.7
[M+Na]+ 390.01159 188.3
[M-H]- 366.01509 189.1
[M+NH4]+ 385.05619 193.7
[M+K]+ 405.98553 182.4
[M+H-H2O]+ 350.01963 168.2
[M+HCOO]- 412.02057 203.9
[M+CH3COO]- 426.03622 191.0
[M+Na-2H]- 387.99704 185.6
[M]+ 367.02182 181.5
[M]- 367.02292 181.5
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.