CID 104607

53786-28-0

Structural Information

Molecular Formula

C₁₂H₁₄ClN₃O

SMILES

C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=O

InChI

InChI=1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)

InChIKey

DOAYWDKFDPSTSV-UHFFFAOYSA-N

Compound name

6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 255
Patents: 251.08253 Da
Monoisotopic Mass: 2.6
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]+	252.08981	153.7
[M+Na]+	274.07175	167.9
[M+NH4]+	269.11635	161.7
[M+K]+	290.04569	162.3
[M-H]-	250.07525	155.6
[M+Na-2H]-	272.05720	159.8
[M]+	251.08198	156.4
[M]-	251.08308	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe