CID 104611

53786-47-3

Structural Information

Molecular Formula
C15H19N3O3
SMILES
CCOC(=O)N1CCC(CC1)N2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C15H19N3O3/c1-2-21-15(20)17-9-7-11(8-10-17)18-13-6-4-3-5-12(13)16-14(18)19/h3-6,11H,2,7-10H2,1H3,(H,16,19)
InChIKey
GXSAIQHDWSYUNK-UHFFFAOYSA-N
Compound name
ethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

289.14264 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.149916 166.7
[M+Na]+ 312.131858 174.5
[M-H]- 288.135364 169.0
[M+NH4]+ 307.176463 180.2
[M+K]+ 328.105798 169.9
[M+H-H2O]+ 272.139900 157.5
[M+HCOO]- 334.140841 182.8
[M+CH3COO]- 348.156491 196.8
[M+Na-2H]- 310.117306 168.6
[M]+ 289.14209142 165.7
[M]- 289.14318858 165.7
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

patents stripe