CID 491039

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

Structural Information

Molecular Formula
C20H29FN6O
SMILES
CN(C)CCNC(=O)CC1=NC2=CC(=C(C=C2N1C3CC3)N4CCNCC4)F
InChI
InChI=1S/C20H29FN6O/c1-25(2)8-7-23-20(28)13-19-24-16-11-15(21)17(26-9-5-22-6-10-26)12-18(16)27(19)14-3-4-14/h11-12,14,22H,3-10,13H2,1-2H3,(H,23,28)
InChIKey
BMECARPWSMQTSV-UHFFFAOYSA-N
Compound name
2-(1-cyclopropyl-5-fluoro-6-piperazin-1-ylbenzimidazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.23868 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.24596 197.8
[M+Na]+ 411.22790 204.5
[M-H]- 387.23140 201.7
[M+NH4]+ 406.27250 201.5
[M+K]+ 427.20184 196.5
[M+H-H2O]+ 371.23594 186.4
[M+HCOO]- 433.23688 212.6
[M+CH3COO]- 447.25253 204.3
[M+Na-2H]- 409.21335 196.5
[M]+ 388.23813 197.4
[M]- 388.23923 197.4
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.