CID 174075

65003-32-9

Structural Information

Molecular Formula

C₁₅H₁₈N₄O₃

SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C15H18N4O3/c1-22-15(21)18-14-16-11-6-5-10(9-12(11)17-14)13(20)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8H2,1H3,(H2,16,17,18,21)

InChIKey

BQBMJMKDJQOLCK-UHFFFAOYSA-N

Compound name

methyl N-[6-(piperidine-1-carbonyl)-1H-benzimidazol-2-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 302.13788 Da
Monoisotopic Mass: 1.8
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]+	303.14516	168.6
[M+Na]+	325.12710	174.3
[M-H]-	301.13060	170.7
[M+NH4]+	320.17170	180.9
[M+K]+	341.10104	170.3
[M+H-H2O]+	285.13514	159.1
[M+HCOO]-	347.13608	184.9
[M+CH3COO]-	361.15173	200.8
[M+Na-2H]-	323.11255	171.1
[M]+	302.13733	165.9
[M]-	302.13843	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe