CID 491030

Oprea1_729298

Structural Information

Molecular Formula
C15H20FN5O2
SMILES
CCOC(=O)NC1=NC2=CC(=C(C=C2N1)F)N3CCN(CC3)C
InChI
InChI=1S/C15H20FN5O2/c1-3-23-15(22)19-14-17-11-8-10(16)13(9-12(11)18-14)21-6-4-20(2)5-7-21/h8-9H,3-7H2,1-2H3,(H2,17,18,19,22)
InChIKey
PQPGERUZUNLOLA-UHFFFAOYSA-N
Compound name
ethyl N-[6-fluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1601 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16738 175.4
[M+Na]+ 344.14932 183.1
[M-H]- 320.15282 175.3
[M+NH4]+ 339.19392 186.2
[M+K]+ 360.12326 177.7
[M+H-H2O]+ 304.15736 164.5
[M+HCOO]- 366.15830 189.7
[M+CH3COO]- 380.17395 207.1
[M+Na-2H]- 342.13477 176.6
[M]+ 321.15955 173.0
[M]- 321.16065 173.0
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.