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]+ 290.13868 164.0
[M+Na]+ 312.12062 171.4
[M-H]- 288.12412 167.7
[M+NH4]+ 307.16522 180.2
[M+K]+ 328.09456 169.6
[M+H-H2O]+ 272.12866 158.1
[M+HCOO]- 334.12960 182.2
[M+CH3COO]- 348.14525 208.4
[M+Na-2H]- 310.10607 163.9
[M]+ 289.13085 165.7
[M]- 289.13195 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.