CID 386250

Nsc677993

Structural Information

Molecular Formula
C16H12N2O2S
SMILES
C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C16H12N2O2S/c19-16(20)11-7-5-10(6-8-11)15-18-13-4-2-1-3-12(13)17-14(18)9-21-15/h1-8,15H,9H2,(H,19,20)
InChIKey
LIASFHOMYOABMV-UHFFFAOYSA-N
Compound name
4-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.06195 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06923 165.8
[M+Na]+ 319.05117 177.1
[M-H]- 295.05467 172.1
[M+NH4]+ 314.09577 184.4
[M+K]+ 335.02511 171.7
[M+H-H2O]+ 279.05921 159.8
[M+HCOO]- 341.06015 181.7
[M+CH3COO]- 355.07580 178.1
[M+Na-2H]- 317.03662 166.9
[M]+ 296.06140 169.8
[M]- 296.06250 169.8
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.