CID 21567742

2,3-dihydro-3-ethyl-2-(2-(phenylimino)ethylidene)benzoselenazole

Structural Information

Molecular Formula
C17H16N2Se
SMILES
CCN\1C2=CC=CC=C2[Se]/C1=C/C=NC3=CC=CC=C3
InChI
InChI=1S/C17H16N2Se/c1-2-19-15-10-6-7-11-16(15)20-17(19)12-13-18-14-8-4-3-5-9-14/h3-13H,2H2,1H3/b17-12+,18-13?
InChIKey
LRFMUKRTMSGOLS-KUHOPJCQSA-N
Compound name
(2E)-2-(3-ethyl-1,3-benzoselenazol-2-ylidene)-N-phenylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.04788 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05516 174.1
[M+Na]+ 351.03710 180.9
[M-H]- 327.04060 180.7
[M+NH4]+ 346.08170 191.9
[M+K]+ 367.01104 174.8
[M+H-H2O]+ 311.04514 164.6
[M+HCOO]- 373.04608 197.2
[M+CH3COO]- 387.06173 185.2
[M+Na-2H]- 349.02255 177.4
[M]+ 328.04733 173.4
[M]- 328.04843 173.4
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.