CID 373876

2-(4,5-dihydro-1,3-thiazol-2-yl)-1h-benzimidazole

Structural Information

Molecular Formula
C10H9N3S
SMILES
C1CSC(=N1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C10H9N3S/c1-2-4-8-7(3-1)12-9(13-8)10-11-5-6-14-10/h1-4H,5-6H2,(H,12,13)
InChIKey
DNWFDDRBQPYKTD-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

203.05171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05899 140.2
[M+Na]+ 226.04093 151.8
[M-H]- 202.04443 144.1
[M+NH4]+ 221.08553 160.3
[M+K]+ 242.01487 147.3
[M+H-H2O]+ 186.04897 133.5
[M+HCOO]- 248.04991 157.6
[M+CH3COO]- 262.06556 153.7
[M+Na-2H]- 224.02638 143.3
[M]+ 203.05116 141.5
[M]- 203.05226 141.5
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

patents stripe