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]+ 299.094556 169.1
[M+Na]+ 321.076498 182.7
[M-H]- 297.080004 177.8
[M+NH4]+ 316.121103 180.8
[M+K]+ 337.050438 174.4
[M+H-H2O]+ 281.084540 160.4
[M+HCOO]- 343.085481 187.7
[M+CH3COO]- 357.101131 181.3
[M+Na-2H]- 319.061946 172.8
[M]+ 298.08673142 175.8
[M]- 298.08782858 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.