CID 3061771

Brn 5578687

Structural Information

Molecular Formula
C15H13ClN2OS
SMILES
CSCN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13ClN2OS/c1-20-10-17-13-8-7-11(16)9-14(13)18(15(17)19)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
USOAZETWGPMLDB-UHFFFAOYSA-N
Compound name
5-chloro-1-(methylsulfanylmethyl)-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0437 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05098 166.2
[M+Na]+ 327.03292 180.0
[M-H]- 303.03642 172.7
[M+NH4]+ 322.07752 183.8
[M+K]+ 343.00686 172.6
[M+H-H2O]+ 287.04096 159.2
[M+HCOO]- 349.04190 180.4
[M+CH3COO]- 363.05755 179.3
[M+Na-2H]- 325.01837 168.5
[M]+ 304.04315 174.3
[M]- 304.04425 174.3
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.