CID 368646

Nsc639760

Structural Information

Molecular Formula
C19H29NOSe
SMILES
CCCCCCCCCCCCN1C(=O)C2=CC=CC=C2[Se]1
InChI
InChI=1S/C19H29NOSe/c1-2-3-4-5-6-7-8-9-10-13-16-20-19(21)17-14-11-12-15-18(17)22-20/h11-12,14-15H,2-10,13,16H2,1H3
InChIKey
MKFMRSYMMBVNAJ-UHFFFAOYSA-N
Compound name
2-dodecyl-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

367.14145 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14873 189.2
[M+Na]+ 390.13067 195.8
[M-H]- 366.13417 190.9
[M+NH4]+ 385.17527 205.7
[M+K]+ 406.10461 189.7
[M+H-H2O]+ 350.13871 180.5
[M+HCOO]- 412.13965 210.4
[M+CH3COO]- 426.15530 209.9
[M+Na-2H]- 388.11612 190.1
[M]+ 367.14090 195.9
[M]- 367.14200 195.9
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