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 168.4
[M+Na]+ 324.08740 181.3
[M-H]- 300.09090 176.1
[M+NH4]+ 319.13200 185.7
[M+K]+ 340.06134 175.4
[M+H-H2O]+ 284.09544 160.0
[M+HCOO]- 346.09638 188.6
[M+CH3COO]- 360.11203 181.8
[M+Na-2H]- 322.07285 172.1
[M]+ 301.09763 175.6
[M]- 301.09873 175.6
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.