CID 173998

63870-48-4

Structural Information

Molecular Formula
C22H23N2Se
SMILES
CCN1C2=CC=CC=C2[Se]C1=CC3=[N+](C4=C(C=C3)C=C(C=C4)C)CC
InChI
InChI=1S/C22H23N2Se/c1-4-23-18(12-11-17-14-16(3)10-13-19(17)23)15-22-24(5-2)20-8-6-7-9-21(20)25-22/h6-15H,4-5H2,1-3H3/q+1
InChIKey
BANMGTPVCUQVLZ-UHFFFAOYSA-N
Compound name
3-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.10266 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.10994 198.9
[M+Na]+ 418.09188 207.1
[M-H]- 394.09538 204.4
[M+NH4]+ 413.13648 213.4
[M+K]+ 434.06582 193.3
[M+H-H2O]+ 378.09992 190.9
[M+HCOO]- 440.10086 215.2
[M+CH3COO]- 454.11651 209.7
[M+Na-2H]- 416.07733 201.0
[M]+ 395.10211 198.4
[M]- 395.10321 198.4
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.