CID 3069495

84806-83-7

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CCOC(=O)N1CCN(CC1)C2=CC=CC3=C2N=CN3
InChI
InChI=1S/C14H18N4O2/c1-2-20-14(19)18-8-6-17(7-9-18)12-5-3-4-11-13(12)16-10-15-11/h3-5,10H,2,6-9H2,1H3,(H,15,16)
InChIKey
LXCWNKUQWSKMIZ-UHFFFAOYSA-N
Compound name
ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.150246 164.3
[M+Na]+ 297.132188 171.5
[M-H]- 273.135694 165.0
[M+NH4]+ 292.176793 176.9
[M+K]+ 313.106128 166.9
[M+H-H2O]+ 257.140230 154.2
[M+HCOO]- 319.141171 179.0
[M+CH3COO]- 333.156821 173.9
[M+Na-2H]- 295.117636 167.3
[M]+ 274.14242142 162.3
[M]- 274.14351858 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.