CID 2760034

23491-48-7

Structural Information

Molecular Formula

C₁₁H₁₆N₄O₂

SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)9-2-3-11(15(16)17)10(12)8-9/h2-3,8H,4-7,12H2,1H3

InChIKey

MWLBMGPQZJDFKZ-UHFFFAOYSA-N

Compound name

5-(4-methylpiperazin-1-yl)-2-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 364
Patents: 236.12732 Da
Monoisotopic Mass: 1.1
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]+	237.13460	150.8
[M+Na]+	259.11654	163.2
[M+NH4]+	254.16114	158.2
[M+K]+	275.09048	160.1
[M-H]-	235.12004	155.4
[M+Na-2H]-	257.10199	157.1
[M]+	236.12677	153.5
[M]-	236.12787	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe