CID 49777730

N-[4-(4,5-dichloro-1h-benzimidazol-2-yl)phenyl]-2-morpholino-acetamide

Structural Information

Molecular Formula
C19H18Cl2N4O2
SMILES
C1COCCN1CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=CC(=C4Cl)Cl
InChI
InChI=1S/C19H18Cl2N4O2/c20-14-5-6-15-18(17(14)21)24-19(23-15)12-1-3-13(4-2-12)22-16(26)11-25-7-9-27-10-8-25/h1-6H,7-11H2,(H,22,26)(H,23,24)
InChIKey
SICJBGMFEGRJDK-UHFFFAOYSA-N
Compound name
N-[4-(4,5-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.0807 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.08798 192.3
[M+Na]+ 427.06992 200.4
[M-H]- 403.07342 197.3
[M+NH4]+ 422.11452 200.5
[M+K]+ 443.04386 193.2
[M+H-H2O]+ 387.07796 181.9
[M+HCOO]- 449.07890 198.1
[M+CH3COO]- 463.09455 200.3
[M+Na-2H]- 425.05537 193.3
[M]+ 404.08015 193.4
[M]- 404.08125 193.4
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.