CID 135750082

74839-42-2

Structural Information

Molecular Formula

C₂₁H₂₂N₄O₄

SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=C3C(=C(C=C2)NCCCOC)C=CC=C3O

InChI

InChI=1S/C21H22N4O4/c1-14-13-15(25(27)28)7-8-17(14)23-24-19-10-9-18(22-11-4-12-29-2)16-5-3-6-20(26)21(16)19/h3,5-10,13,22,26H,4,11-12H2,1-2H3

InChIKey

WLOUFSLGZBXYCS-UHFFFAOYSA-N

Compound name

5-(3-methoxypropylamino)-8-[(2-methyl-4-nitrophenyl)diazenyl]naphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 394.1641 Da
Monoisotopic Mass: 5.0
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]+	395.171376	190.9
[M+Na]+	417.153318	195.6
[M-H]-	393.156824	199.5
[M+NH4]+	412.197923	201.7
[M+K]+	433.127258	187.9
[M+H-H2O]+	377.161360	184.8
[M+HCOO]-	439.162301	218.0
[M+CH3COO]-	453.177951	228.1
[M+Na-2H]-	415.138766	198.3
[M]+	394.16355142	193.2
[M]-	394.16464858	193.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.