CID 9903869

4-ethyl-2-p-tolyl-5,6-dihydro-4h-1,3-selenazin-4-ol

Structural Information

Molecular Formula
C13H17NOSe
SMILES
CCC1(CC[Se]C(=N1)C2=CC=C(C=C2)C)O
InChI
InChI=1S/C13H17NOSe/c1-3-13(15)8-9-16-12(14-13)11-6-4-10(2)5-7-11/h4-7,15H,3,8-9H2,1-2H3
InChIKey
SPHPVCBZNTZISK-UHFFFAOYSA-N
Compound name
4-ethyl-2-(4-methylphenyl)-5,6-dihydro-1,3-selenazin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

283.04755 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05483 162.3
[M+Na]+ 306.03677 168.8
[M-H]- 282.04027 165.7
[M+NH4]+ 301.08137 180.3
[M+K]+ 322.01071 164.9
[M+H-H2O]+ 266.04481 154.5
[M+HCOO]- 328.04575 180.6
[M+CH3COO]- 342.06140 188.8
[M+Na-2H]- 304.02222 166.4
[M]+ 283.04700 159.7
[M]- 283.04810 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe