CID 129928

123258-98-0

Structural Information

Molecular Formula
C17H21N3O4
SMILES
CN1C2CCC1CC(C2)OC(=O)N3C4=C(C=CC(=C4)OC)NC3=O
InChI
InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)
InChIKey
HKBNGEJJECJLOW-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-methoxy-2-oxo-3H-benzimidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

15
Patents

331.1532 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16048 176.8
[M+Na]+ 354.14242 185.4
[M-H]- 330.14592 179.4
[M+NH4]+ 349.18702 192.4
[M+K]+ 370.11636 181.1
[M+H-H2O]+ 314.15046 169.1
[M+HCOO]- 376.15140 191.2
[M+CH3COO]- 390.16705 186.8
[M+Na-2H]- 352.12787 176.3
[M]+ 331.15265 179.0
[M]- 331.15375 179.0
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

patents stripe