CID 5276383

Benzimidazol-2-one 7

Structural Information

Molecular Formula
C18H13ClN2O
SMILES
C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C18H13ClN2O/c19-15-7-8-16-17(10-15)21(18(22)20-16)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H,20,22)
InChIKey
KJEVEUACKYEJQB-UHFFFAOYSA-N
Compound name
5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.