CID 3061803

Brn 5586840

Structural Information

Molecular Formula
C18H13ClN2O
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C18H13ClN2O/c1-20-16-9-7-14(19)11-17(16)21(18(20)22)15-8-6-12-4-2-3-5-13(12)10-15/h2-11H,1H3
InChIKey
FOWOKSKCRBPKQF-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-naphthalen-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.07166 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07894 168.7
[M+Na]+ 331.06088 188.6
[M+NH4]+ 326.10548 178.8
[M+K]+ 347.03482 179.7
[M-H]- 307.06438 174.3
[M+Na-2H]- 329.04633 178.4
[M]+ 308.07111 173.8
[M]- 308.07221 173.8
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.