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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	289.165906	169.4
[M+Na]+	311.147848	177.2
[M-H]-	287.151354	170.4
[M+NH4]+	306.192453	181.8
[M+K]+	327.121788	172.2
[M+H-H2O]+	271.155890	159.5
[M+HCOO]-	333.156831	183.8
[M+CH3COO]-	347.172481	178.9
[M+Na-2H]-	309.133296	171.2
[M]+	288.15808142	168.3
[M]-	288.15917858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.