CID 825616

877468-30-9

Structural Information

Molecular Formula
C20H12N2OS
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=C\3/C(=O)N4C5=CC=CC=C5N=C4S3
InChI
InChI=1S/C20H12N2OS/c23-19-18(12-14-8-5-7-13-6-1-2-9-15(13)14)24-20-21-16-10-3-4-11-17(16)22(19)20/h1-12H/b18-12-
InChIKey
LSMSWMATNWABID-PDGQHHTCSA-N
Compound name
(2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.06705 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07433 176.1
[M+Na]+ 351.05627 191.3
[M-H]- 327.05977 185.5
[M+NH4]+ 346.10087 195.5
[M+K]+ 367.03021 183.2
[M+H-H2O]+ 311.06431 169.3
[M+HCOO]- 373.06525 195.6
[M+CH3COO]- 387.08090 189.5
[M+Na-2H]- 349.04172 179.8
[M]+ 328.06650 183.5
[M]- 328.06760 183.5
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

No patent data available for this compound.