CID 15955831

Chembl197335

Structural Information

Molecular Formula
C16H19NO4
SMILES
CC(C)N(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C(C)C
InChI
InChI=1S/C16H19NO4/c1-8(2)17(9(3)4)10-7-13(20)14-11(18)5-6-12(19)15(14)16(10)21/h5-9,18-19H,1-4H3
InChIKey
KITUGJWDYMTPOU-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yl)amino]-5,8-dihydroxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.1314 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.138676 164.0
[M+Na]+ 312.120618 171.4
[M-H]- 288.124124 167.7
[M+NH4]+ 307.165223 180.2
[M+K]+ 328.094558 169.6
[M+H-H2O]+ 272.128660 158.1
[M+HCOO]- 334.129601 182.2
[M+CH3COO]- 348.145251 208.4
[M+Na-2H]- 310.106066 163.9
[M]+ 289.13085142 165.7
[M]- 289.13194858 165.7
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

No patent data available for this compound.