CID 3021490

Brn 5097403

Structural Information

Molecular Formula
C17H12ClN3O
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C17H12ClN3O/c1-20-14-8-7-12(18)10-15(14)21(17(20)22)16-9-6-11-4-2-3-5-13(11)19-16/h2-10H,1H3
InChIKey
GKWMGCZJBZTXAR-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0669 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07418 170.6
[M+Na]+ 332.05612 185.0
[M-H]- 308.05962 176.4
[M+NH4]+ 327.10072 186.5
[M+K]+ 348.03006 176.8
[M+H-H2O]+ 292.06416 161.1
[M+HCOO]- 354.06510 187.0
[M+CH3COO]- 368.08075 183.1
[M+Na-2H]- 330.04157 176.4
[M]+ 309.06635 176.5
[M]- 309.06745 176.5
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.