CID 491034

Propyl n-(5-fluoro-6-morpholino-1-propyl-benzimidazol-2-yl)carbamate

Structural Information

Molecular Formula
C18H25FN4O3
SMILES
CCCN1C2=CC(=C(C=C2N=C1NC(=O)OCCC)F)N3CCOCC3
InChI
InChI=1S/C18H25FN4O3/c1-3-5-23-16-12-15(22-6-9-25-10-7-22)13(19)11-14(16)20-17(23)21-18(24)26-8-4-2/h11-12H,3-10H2,1-2H3,(H,20,21,24)
InChIKey
DPQCOPJZVZOGNC-UHFFFAOYSA-N
Compound name
propyl N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.19107 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19835 187.9
[M+Na]+ 387.18029 194.7
[M-H]- 363.18379 190.6
[M+NH4]+ 382.22489 197.7
[M+K]+ 403.15423 191.2
[M+H-H2O]+ 347.18833 176.8
[M+HCOO]- 409.18927 203.3
[M+CH3COO]- 423.20492 217.7
[M+Na-2H]- 385.16574 188.5
[M]+ 364.19052 189.8
[M]- 364.19162 189.8
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.