CID 418210

Nsc98907

Structural Information

Molecular Formula
C23H16NOS
SMILES
C1=CC=C(C=C1)C2=C(SC3=[N+]2C(=CC4=CC=CC=C43)O)C5=CC=CC=C5
InChI
InChI=1S/C23H15NOS/c25-20-15-18-13-7-8-14-19(18)23-24(20)21(16-9-3-1-4-10-16)22(26-23)17-11-5-2-6-12-17/h1-15H/p+1
InChIKey
NWCDLWSMBPBGTN-UHFFFAOYSA-O
Compound name
2,3-diphenyl-[1,3]thiazolo[2,3-a]isoquinolin-4-ium-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.09525 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10253 185.5
[M+Na]+ 377.08447 196.3
[M-H]- 353.08797 195.8
[M+NH4]+ 372.12907 200.4
[M+K]+ 393.05841 182.5
[M+H-H2O]+ 337.09251 179.5
[M+HCOO]- 399.09345 202.0
[M+CH3COO]- 413.10910 196.4
[M+Na-2H]- 375.06992 191.4
[M]+ 354.09470 187.5
[M]- 354.09580 187.5
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.