CID 3061772

Brn 5587909

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
C1CC1CN2C3=C(C=C(C=C3)Cl)N(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C17H15ClN2O/c18-13-8-9-15-16(10-13)20(14-4-2-1-3-5-14)17(21)19(15)11-12-6-7-12/h1-5,8-10,12H,6-7,11H2
InChIKey
NLFXVAWUIQEXCC-UHFFFAOYSA-N
Compound name
5-chloro-1-(cyclopropylmethyl)-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08728 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 169.1
[M+Na]+ 321.07650 182.7
[M-H]- 297.08000 177.8
[M+NH4]+ 316.12110 180.8
[M+K]+ 337.05044 174.4
[M+H-H2O]+ 281.08454 160.4
[M+HCOO]- 343.08548 187.7
[M+CH3COO]- 357.10113 181.3
[M+Na-2H]- 319.06195 172.8
[M]+ 298.08673 175.8
[M]- 298.08783 175.8
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.