CID 368657

Nsc639774

Structural Information

Molecular Formula
C25H41NO2Se
SMILES
CCCCCCCCCCCCCCCCCCN1C(=O)C2=CC=CC=C2[Se]1=O
InChI
InChI=1S/C25H41NO2Se/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-25(27)23-20-17-18-21-24(23)29(26)28/h17-18,20-21H,2-16,19,22H2,1H3
InChIKey
UCFGFSFJZSMAOZ-UHFFFAOYSA-N
Compound name
2-octadecyl-1-oxo-1lambda4,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.23026 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.23754 219.9
[M+Na]+ 490.21948 222.8
[M-H]- 466.22298 220.0
[M+NH4]+ 485.26408 232.1
[M+K]+ 506.19342 215.6
[M+H-H2O]+ 450.22752 210.2
[M+HCOO]- 512.22846 236.4
[M+CH3COO]- 526.24411 230.6
[M+Na-2H]- 488.20493 215.1
[M]+ 467.22971 226.8
[M]- 467.23081 226.8
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.