CID 362760

Nsc627020

Structural Information

Molecular Formula
C12H12N2OSe
SMILES
CC(=O)C1CN2C(=NC3=CC=CC=C32)C[Se]1
InChI
InChI=1S/C12H12N2OSe/c1-8(15)11-6-14-10-5-3-2-4-9(10)13-12(14)7-16-11/h2-5,11H,6-7H2,1H3
InChIKey
ANTJZFGQGDDXNO-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-1H-[1,4]selenazino[4,3-a]benzimidazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.01147 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01875 158.5
[M+Na]+ 303.00069 167.2
[M-H]- 279.00419 160.8
[M+NH4]+ 298.04529 177.8
[M+K]+ 318.97463 162.8
[M+H-H2O]+ 263.00873 150.2
[M+HCOO]- 325.00967 176.8
[M+CH3COO]- 339.02532 170.2
[M+Na-2H]- 300.98614 163.0
[M]+ 280.01092 158.5
[M]- 280.01202 158.5
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.