CID 3061761

Brn 5579999

Structural Information

Molecular Formula
C17H17ClN2O
SMILES
CCCCN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C17H17ClN2O/c1-2-3-11-19-15-10-9-13(18)12-16(15)20(17(19)21)14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3
InChIKey
PKUWPFTXPRGGNV-UHFFFAOYSA-N
Compound name
1-butyl-5-chloro-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.10294 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.110216 168.9
[M+Na]+ 323.092158 181.3
[M-H]- 299.095664 174.6
[M+NH4]+ 318.136763 185.7
[M+K]+ 339.066098 173.8
[M+H-H2O]+ 283.100200 160.5
[M+HCOO]- 345.101141 187.2
[M+CH3COO]- 359.116791 181.5
[M+Na-2H]- 321.077606 172.9
[M]+ 300.10239142 175.3
[M]- 300.10348858 175.3
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.