CID 3069495

Ethyl 4-(1h-benzimidazol-4-yl)-1-piperazinecarboxylate (z)-2-butenedioate (1:1)

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]+ 275.15025 164.3
[M+Na]+ 297.13219 171.5
[M-H]- 273.13569 165.0
[M+NH4]+ 292.17679 176.9
[M+K]+ 313.10613 166.9
[M+H-H2O]+ 257.14023 154.2
[M+HCOO]- 319.14117 179.0
[M+CH3COO]- 333.15682 173.9
[M+Na-2H]- 295.11764 167.3
[M]+ 274.14242 162.3
[M]- 274.14352 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.