CID 116939

70917-34-9

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CC(C)OC(=O)C1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C18H16N2O4/c1-8(2)24-18(23)11-7-12(19)13-14(15(11)20)17(22)10-6-4-3-5-9(10)16(13)21/h3-8H,19-20H2,1-2H3
InChIKey
KQBPPKIWYDVYHG-UHFFFAOYSA-N
Compound name
propan-2-yl 1,4-diamino-9,10-dioxoanthracene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

324.111 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 173.3
[M+Na]+ 347.10022 185.0
[M+NH4]+ 342.14482 179.9
[M+K]+ 363.07416 179.8
[M-H]- 323.10372 176.0
[M+Na-2H]- 345.08567 176.2
[M]+ 324.11045 175.4
[M]- 324.11155 175.4
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

patents stripe