CID 236906

6337-10-6

Structural Information

Molecular Formula
C15H7NO3Se
SMILES
C1=CC=C2C(=C1)C3=N[Se]C4=C(C=CC(=C43)C2=O)C(=O)O
InChI
InChI=1S/C15H7NO3Se/c17-13-8-4-2-1-3-7(8)12-11-9(13)5-6-10(15(18)19)14(11)20-16-12/h1-6H,(H,18,19)
InChIKey
WTHVYLOLMZIBJP-UHFFFAOYSA-N
Compound name
8-oxo-14-selena-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene-12-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.9591 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.96638 166.9
[M+Na]+ 351.94832 177.7
[M-H]- 327.95182 170.7
[M+NH4]+ 346.99292 186.2
[M+K]+ 367.92226 172.1
[M+H-H2O]+ 311.95636 159.6
[M+HCOO]- 373.95730 185.6
[M+CH3COO]- 387.97295 178.9
[M+Na-2H]- 349.93377 172.6
[M]+ 328.95855 170.6
[M]- 328.95965 170.6
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.