CID 5276382

Benzimidazol-2-one 6

Structural Information

Molecular Formula
C18H13ClN2O
SMILES
C1=CC=C2C(=C1)C=CC=C2CN3C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C18H13ClN2O/c19-14-8-9-16-17(10-14)21(18(22)20-16)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2,(H,20,22)
InChIKey
LFXDSIHELZJCMT-UHFFFAOYSA-N
Compound name
5-chloro-3-(naphthalen-1-ylmethyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

308.07166 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07894 169.7
[M+Na]+ 331.06088 182.5
[M-H]- 307.06438 175.1
[M+NH4]+ 326.10548 186.2
[M+K]+ 347.03482 173.4
[M+H-H2O]+ 291.06892 161.3
[M+HCOO]- 353.06986 185.8
[M+CH3COO]- 367.08551 181.7
[M+Na-2H]- 329.04633 175.5
[M]+ 308.07111 173.5
[M]- 308.07221 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe