CID 49777731

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

Structural Information

Molecular Formula
C20H21Cl2N5O
SMILES
CN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=CC(=C4Cl)Cl
InChI
InChI=1S/C20H21Cl2N5O/c1-26-8-10-27(11-9-26)12-17(28)23-14-4-2-13(3-5-14)20-24-16-7-6-15(21)18(22)19(16)25-20/h2-7H,8-12H2,1H3,(H,23,28)(H,24,25)
InChIKey
RYQOVDDOKKRRKU-UHFFFAOYSA-N
Compound name
N-[4-(4,5-dichloro-1H-benzimidazol-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1123 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.11958 197.1
[M+Na]+ 440.10152 205.5
[M-H]- 416.10502 200.2
[M+NH4]+ 435.14612 205.0
[M+K]+ 456.07546 196.4
[M+H-H2O]+ 400.10956 185.8
[M+HCOO]- 462.11050 201.9
[M+CH3COO]- 476.12615 204.2
[M+Na-2H]- 438.08697 196.5
[M]+ 417.11175 197.3
[M]- 417.11285 197.3
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.