CID 363057

Nsc627605

Structural Information

Molecular Formula
C21H16NOSe
SMILES
C1=CC=C(C=C1)C2=C([N+](=C([Se]2)C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C21H15NOSe/c23-20-19(16-10-4-1-5-11-16)24-21(17-12-6-2-7-13-17)22(20)18-14-8-3-9-15-18/h1-15H/p+1
InChIKey
JICIQSRTUDKTOF-UHFFFAOYSA-O
Compound name
2,3,5-triphenyl-1,3-selenazol-3-ium-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.0397 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.04698 190.7
[M+Na]+ 401.02892 197.5
[M-H]- 377.03242 200.8
[M+NH4]+ 396.07352 203.2
[M+K]+ 417.00286 184.5
[M+H-H2O]+ 361.03696 182.5
[M+HCOO]- 423.03790 211.7
[M+CH3COO]- 437.05355 199.3
[M+Na-2H]- 399.01437 194.2
[M]+ 378.03915 187.8
[M]- 378.04025 187.8
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.