CID 5388229

Nsc633947

Structural Information

Molecular Formula
C20H12N2O2S
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=C\3/C(=O)N4C5=CC=CC=C5N=C4S3)O
InChI
InChI=1S/C20H12N2O2S/c23-17-10-9-12-5-1-2-6-13(12)14(17)11-18-19(24)22-16-8-4-3-7-15(16)21-20(22)25-18/h1-11,23H/b18-11-
InChIKey
ZSTMORBAOJHJPC-WQRHYEAKSA-N
Compound name
(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.06195 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.06923 179.2
[M+Na]+ 367.05117 194.4
[M-H]- 343.05467 187.7
[M+NH4]+ 362.09577 197.4
[M+K]+ 383.02511 186.3
[M+H-H2O]+ 327.05921 173.0
[M+HCOO]- 389.06015 197.4
[M+CH3COO]- 403.07580 192.1
[M+Na-2H]- 365.03662 182.4
[M]+ 344.06140 186.8
[M]- 344.06250 186.8
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.