CID 368656

Nsc639773

Structural Information

Molecular Formula
C19H29NO2Se
SMILES
CCCCCCCCCCCCN1C(=O)C2=CC=CC=C2[Se]1=O
InChI
InChI=1S/C19H29NO2Se/c1-2-3-4-5-6-7-8-9-10-13-16-20-19(21)17-14-11-12-15-18(17)23(20)22/h11-12,14-15H,2-10,13,16H2,1H3
InChIKey
OQPGSMZLHLMISD-UHFFFAOYSA-N
Compound name
2-dodecyl-1-oxo-1lambda4,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.13635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14363 192.9
[M+Na]+ 406.12557 198.5
[M-H]- 382.12907 194.3
[M+NH4]+ 401.17017 208.7
[M+K]+ 422.09951 192.8
[M+H-H2O]+ 366.13361 184.4
[M+HCOO]- 428.13455 211.6
[M+CH3COO]- 442.15020 212.9
[M+Na-2H]- 404.11102 191.4
[M]+ 383.13580 197.8
[M]- 383.13690 197.8
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.