CID 3061811

79759-85-6

Structural Information

Molecular Formula
C21H17ClN2O2
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C21H17ClN2O2/c1-23-19-12-7-16(22)13-20(19)24(21(23)25)17-8-10-18(11-9-17)26-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKey
JYTFZLFTGRKUGY-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-(4-phenylmethoxyphenyl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.09787 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10515 186.0
[M+Na]+ 387.08709 198.4
[M-H]- 363.09059 195.0
[M+NH4]+ 382.13169 199.6
[M+K]+ 403.06103 190.4
[M+H-H2O]+ 347.09513 175.8
[M+HCOO]- 409.09607 204.1
[M+CH3COO]- 423.11172 197.7
[M+Na-2H]- 385.07254 189.1
[M]+ 364.09732 192.9
[M]- 364.09842 192.9
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.