CID 372671

Nsc648204

Structural Information

Molecular Formula
C15H12N2S
SMILES
C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4
InChI
InChI=1S/C15H12N2S/c1-2-6-11(7-3-1)15-17-13-9-5-4-8-12(13)16-14(17)10-18-15/h1-9,15H,10H2
InChIKey
FNMNLCSQXMVRNM-UHFFFAOYSA-N
Compound name
1-phenyl-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

252.07211 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.079386 154.3
[M+Na]+ 275.061328 166.5
[M-H]- 251.064834 161.8
[M+NH4]+ 270.105933 175.7
[M+K]+ 291.035268 161.0
[M+H-H2O]+ 235.069370 147.8
[M+HCOO]- 297.070311 172.7
[M+CH3COO]- 311.085961 168.1
[M+Na-2H]- 273.046776 157.6
[M]+ 252.07156142 158.0
[M]- 252.07265858 158.0
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.