CID 368647

Nsc639761

Structural Information

Molecular Formula
C25H41NOSe
SMILES
CCCCCCCCCCCCCCCCCCN1C(=O)C2=CC=CC=C2[Se]1
InChI
InChI=1S/C25H41NOSe/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)28-26/h17-18,20-21H,2-16,19,22H2,1H3
InChIKey
DFLLCCSKSGNKRB-UHFFFAOYSA-N
Compound name
2-octadecyl-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

451.23535 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.24263 216.6
[M+Na]+ 474.22457 220.4
[M-H]- 450.22807 217.0
[M+NH4]+ 469.26917 229.5
[M+K]+ 490.19851 212.8
[M+H-H2O]+ 434.23261 206.5
[M+HCOO]- 496.23355 235.6
[M+CH3COO]- 510.24920 227.6
[M+Na-2H]- 472.21002 214.1
[M]+ 451.23480 225.2
[M]- 451.23590 225.2
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

patents stripe