CID 491043

1h-benzimidazole-2-acetamide, 1-cyclopropyl-n-[3-(dimethylamino)propyl]-5-fluoro-6-(1-piperazinyl)-

Structural Information

Molecular Formula
C21H31FN6O
SMILES
CN(C)CCCNC(=O)CC1=NC2=CC(=C(C=C2N1C3CC3)N4CCNCC4)F
InChI
InChI=1S/C21H31FN6O/c1-26(2)9-3-6-24-21(29)14-20-25-17-12-16(22)18(27-10-7-23-8-11-27)13-19(17)28(20)15-4-5-15/h12-13,15,23H,3-11,14H2,1-2H3,(H,24,29)
InChIKey
VZXJDSNAAIYXLF-UHFFFAOYSA-N
Compound name
2-(1-cyclopropyl-5-fluoro-6-piperazin-1-ylbenzimidazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.25433 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.26161 201.6
[M+Na]+ 425.24355 207.9
[M-H]- 401.24705 205.3
[M+NH4]+ 420.28815 204.8
[M+K]+ 441.21749 199.7
[M+H-H2O]+ 385.25159 190.1
[M+HCOO]- 447.25253 216.1
[M+CH3COO]- 461.26818 231.1
[M+Na-2H]- 423.22900 199.9
[M]+ 402.25378 201.5
[M]- 402.25488 201.5
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.