CID 491042

1h-benzimidazole-2-acetamide, 1-cyclopropyl-n-[2-(diethylamino)ethyl]-5-fluoro-6-(1-piperazinyl)-

Structural Information

Molecular Formula
C22H33FN6O
SMILES
CCN(CC)CCNC(=O)CC1=NC2=CC(=C(C=C2N1C3CC3)N4CCNCC4)F
InChI
InChI=1S/C22H33FN6O/c1-3-27(4-2)10-9-25-22(30)15-21-26-18-13-17(23)19(28-11-7-24-8-12-28)14-20(18)29(21)16-5-6-16/h13-14,16,24H,3-12,15H2,1-2H3,(H,25,30)
InChIKey
FHMSTUIPRRWJTH-UHFFFAOYSA-N
Compound name
2-(1-cyclopropyl-5-fluoro-6-piperazin-1-ylbenzimidazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.27 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.27728 205.4
[M+Na]+ 439.25922 211.2
[M-H]- 415.26272 208.9
[M+NH4]+ 434.30382 208.0
[M+K]+ 455.23316 202.9
[M+H-H2O]+ 399.26726 193.8
[M+HCOO]- 461.26820 219.6
[M+CH3COO]- 475.28385 233.9
[M+Na-2H]- 437.24467 203.3
[M]+ 416.26945 205.6
[M]- 416.27055 205.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.