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
1
Annotation Hits

8
References

23
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

literature stripe

Patent stripe

patents stripe