CID 19397

3689-77-8

Structural Information

Molecular Formula

C₁₂H₁₅Cl₂N₃

SMILES

C1=CC=C2C(=C1)NC(=N2)CN(CCCl)CCCl

InChI

InChI=1S/C12H15Cl2N3/c13-5-7-17(8-6-14)9-12-15-10-3-1-2-4-11(10)16-12/h1-4H,5-9H2,(H,15,16)

InChIKey

KVXVTSPBGSEDER-UHFFFAOYSA-N

Compound name

N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 271.0643 Da
Monoisotopic Mass: 2.8
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]+	272.07158	157.6
[M+Na]+	294.05352	171.4
[M+NH4]+	289.09812	166.3
[M+K]+	310.02746	164.4
[M-H]-	270.05702	159.5
[M+Na-2H]-	292.03897	164.2
[M]+	271.06375	160.6
[M]-	271.06485	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe