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 163.9
[M+Na]+ 297.13219 176.0
[M+NH4]+ 292.17679 170.1
[M+K]+ 313.10613 172.0
[M-H]- 273.13569 164.6
[M+Na-2H]- 295.11764 169.0
[M]+ 274.14242 165.5
[M]- 274.14352 165.5
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.