CID 491044

(5-fluoro-6-morpholino-1-propyl-benzimidazol-2-yl)urea

Structural Information

Molecular Formula
C15H20FN5O2
SMILES
CCCN1C2=CC(=C(C=C2N=C1NC(=O)N)F)N3CCOCC3
InChI
InChI=1S/C15H20FN5O2/c1-2-3-21-13-9-12(20-4-6-23-7-5-20)10(16)8-11(13)18-15(21)19-14(17)22/h8-9H,2-7H2,1H3,(H3,17,18,19,22)
InChIKey
KSBQXGAYRNRHHH-UHFFFAOYSA-N
Compound name
(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1601 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16738 175.2
[M+Na]+ 344.14932 182.6
[M-H]- 320.15282 178.0
[M+NH4]+ 339.19392 186.2
[M+K]+ 360.12326 178.8
[M+H-H2O]+ 304.15736 164.5
[M+HCOO]- 366.15830 191.9
[M+CH3COO]- 380.17395 212.1
[M+Na-2H]- 342.13477 177.0
[M]+ 321.15955 173.2
[M]- 321.16065 173.2
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.