CID 3061810

Brn 5612945

Structural Information

Molecular Formula
C20H15ClN2O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C20H15ClN2O2/c21-15-6-11-18-19(12-15)23(20(24)22-18)16-7-9-17(10-8-16)25-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,24)
InChIKey
LPCBDPVUQDTXGT-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-phenylmethoxyphenyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0822 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08948 180.5
[M+Na]+ 373.07142 192.1
[M-H]- 349.07492 188.1
[M+NH4]+ 368.11602 193.7
[M+K]+ 389.04536 183.4
[M+H-H2O]+ 333.07946 170.8
[M+HCOO]- 395.08040 197.6
[M+CH3COO]- 409.09605 191.8
[M+Na-2H]- 371.05687 184.7
[M]+ 350.08165 185.0
[M]- 350.08275 185.0
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.