CID 371690

Nsc646134

Structural Information

Molecular Formula
C15H12N2OS
SMILES
C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)O
InChI
InChI=1S/C15H12N2OS/c18-11-7-5-10(6-8-11)15-17-13-4-2-1-3-12(13)16-14(17)9-19-15/h1-8,15,18H,9H2
InChIKey
BRGOVMHPTCMEPR-UHFFFAOYSA-N
Compound name
4-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06705 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07433 157.8
[M+Na]+ 291.05627 170.1
[M-H]- 267.05977 164.3
[M+NH4]+ 286.10087 178.0
[M+K]+ 307.03021 164.4
[M+H-H2O]+ 251.06431 151.9
[M+HCOO]- 313.06525 174.9
[M+CH3COO]- 327.08090 171.0
[M+Na-2H]- 289.04172 160.3
[M]+ 268.06650 161.5
[M]- 268.06760 161.5
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.