CID 67246

Nitrosan

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₄

SMILES

CN(C(=O)C1=CC=C(C=C1)C(=O)N(C)N=O)N=O

InChI

InChI=1S/C10H10N4O4/c1-13(11-17)9(15)7-3-5-8(6-4-7)10(16)14(2)12-18/h3-6H,1-2H3

InChIKey

CQSQUYVFNGIECQ-UHFFFAOYSA-N

Compound name

1-N,4-N-dimethyl-1-N,4-N-dinitrosobenzene-1,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5498
Patents: 250.0702 Da
Monoisotopic Mass: 0.3
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]+	251.07748	153.0
[M+Na]+	273.05942	160.9
[M+NH4]+	268.10402	158.4
[M+K]+	289.03336	158.3
[M-H]-	249.06292	155.4
[M+Na-2H]-	271.04487	158.6
[M]+	250.06965	154.2
[M]-	250.07075	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe