CID 491038

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

Structural Information

Molecular Formula
C19H29FN6O
SMILES
CCN(CC)CCNC(=O)CC1=NC2=CC(=C(C=C2N1)F)N3CCNCC3
InChI
InChI=1S/C19H29FN6O/c1-3-25(4-2)8-7-22-19(27)13-18-23-15-11-14(20)17(12-16(15)24-18)26-9-5-21-6-10-26/h11-12,21H,3-10,13H2,1-2H3,(H,22,27)(H,23,24)
InChIKey
PNFFZQYEDPVUGM-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-(6-fluoro-5-piperazin-1-yl-1H-benzimidazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.23868 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.24596 190.6
[M+Na]+ 399.22790 194.5
[M-H]- 375.23140 189.6
[M+NH4]+ 394.27250 198.5
[M+K]+ 415.20184 188.4
[M+H-H2O]+ 359.23594 178.8
[M+HCOO]- 421.23688 203.6
[M+CH3COO]- 435.25253 222.2
[M+Na-2H]- 397.21335 190.5
[M]+ 376.23813 186.7
[M]- 376.23923 186.7
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.