CID 3061808

79759-82-3

Structural Information

Molecular Formula
C16H16ClN3O
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3N(C)C
InChI
InChI=1S/C16H16ClN3O/c1-18(2)12-6-4-5-7-14(12)20-15-10-11(17)8-9-13(15)19(3)16(20)21/h4-10H,1-3H3
InChIKey
QISOHXIBFUFHEJ-UHFFFAOYSA-N
Compound name
5-chloro-3-[2-(dimethylamino)phenyl]-1-methylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.09818 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10546 166.9
[M+Na]+ 324.08740 184.1
[M+NH4]+ 319.13200 175.8
[M+K]+ 340.06134 177.3
[M-H]- 300.09090 171.9
[M+Na-2H]- 322.07285 175.9
[M]+ 301.09763 171.3
[M]- 301.09873 171.3
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.