CID 3068987

Benzimidazole, 2-((o-chlorophenoxy)methyl)-1-morpholinomethyl-

Structural Information

Molecular Formula
C19H20ClN3O2
SMILES
C1COCCN1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4Cl
InChI
InChI=1S/C19H20ClN3O2/c20-15-5-1-4-8-18(15)25-13-19-21-16-6-2-3-7-17(16)23(19)14-22-9-11-24-12-10-22/h1-8H,9-14H2
InChIKey
LDUKEWJXJHLFCK-UHFFFAOYSA-N
Compound name
4-[[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1244 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13168 183.5
[M+Na]+ 380.11362 191.7
[M-H]- 356.11712 189.9
[M+NH4]+ 375.15822 193.8
[M+K]+ 396.08756 186.0
[M+H-H2O]+ 340.12166 172.0
[M+HCOO]- 402.12260 195.5
[M+CH3COO]- 416.13825 193.1
[M+Na-2H]- 378.09907 186.4
[M]+ 357.12385 186.2
[M]- 357.12495 186.2
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.