CID 344131

Q182 4-anilino-1,2-naphthoquinone

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32
InChI
InChI=1S/C16H11NO2/c18-15-10-14(17-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(15)19/h1-10,17H
InChIKey
NMSRYZBDOYDJBJ-UHFFFAOYSA-N
Compound name
4-anilinonaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

24
Patents

249.07898 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08626 152.7
[M+Na]+ 272.06820 161.3
[M-H]- 248.07170 160.7
[M+NH4]+ 267.11280 170.5
[M+K]+ 288.04214 156.3
[M+H-H2O]+ 232.07624 144.9
[M+HCOO]- 294.07718 176.6
[M+CH3COO]- 308.09283 165.6
[M+Na-2H]- 270.05365 160.3
[M]+ 249.07843 151.7
[M]- 249.07953 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.