CID 3069500

84806-95-1

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CCOC(=O)N1CCN(CC1)C2=CC=CC3=C2N=C(N3)C
InChI
InChI=1S/C15H20N4O2/c1-3-21-15(20)19-9-7-18(8-10-19)13-6-4-5-12-14(13)17-11(2)16-12/h4-6H,3,7-10H2,1-2H3,(H,16,17)
InChIKey
CWQYEBVQFCEBBQ-UHFFFAOYSA-N
Compound name
ethyl 4-(2-methyl-1H-benzimidazol-4-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.15863 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 168.6
[M+Na]+ 311.14785 180.8
[M+NH4]+ 306.19245 174.6
[M+K]+ 327.12179 176.8
[M-H]- 287.15135 169.3
[M+Na-2H]- 309.13330 173.1
[M]+ 288.15808 170.2
[M]- 288.15918 170.2
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.