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]+ 253.07939 154.3
[M+Na]+ 275.06133 166.5
[M-H]- 251.06483 161.8
[M+NH4]+ 270.10593 175.7
[M+K]+ 291.03527 161.0
[M+H-H2O]+ 235.06937 147.8
[M+HCOO]- 297.07031 172.7
[M+CH3COO]- 311.08596 168.1
[M+Na-2H]- 273.04678 157.6
[M]+ 252.07156 158.0
[M]- 252.07266 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.