CID 65903

Troquidazole

Structural Information

Molecular Formula

C₁₄H₁₅N₅O₃

SMILES

C1COCCN1C(=NC2=C(C=NC3=CC=CC=C32)[N+](=O)[O-])N

InChI

InChI=1S/C14H15N5O3/c15-14(18-5-7-22-8-6-18)17-13-10-3-1-2-4-11(10)16-9-12(13)19(20)21/h1-4,9H,5-8H2,(H2,15,16,17)

InChIKey

UUJSXEHRMRPYEX-UHFFFAOYSA-N

Compound name

N'-(3-nitroquinolin-4-yl)morpholine-4-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 57
Patents: 301.1175 Da
Monoisotopic Mass: 0.7
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]+	302.12478	164.3
[M+Na]+	324.10672	167.8
[M-H]-	300.11022	169.8
[M+NH4]+	319.15132	174.4
[M+K]+	340.08066	161.6
[M+H-H2O]+	284.11476	158.3
[M+HCOO]-	346.11570	183.8
[M+CH3COO]-	360.13135	202.6
[M+Na-2H]-	322.09217	173.1
[M]+	301.11695	158.3
[M]-	301.11805	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe