CID 118430

33304-48-2

Structural Information

Molecular Formula
C17H16N2O4
SMILES
COCCOC1=C(C2=C(C(=C1)N)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C17H16N2O4/c1-22-6-7-23-12-8-11(18)13-14(15(12)19)17(21)10-5-3-2-4-9(10)16(13)20/h2-5,8H,6-7,18-19H2,1H3
InChIKey
SSIWUKJNWMCECS-UHFFFAOYSA-N
Compound name
1,4-diamino-2-(2-methoxyethoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

312.111 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 169.1
[M+Na]+ 335.10022 178.5
[M-H]- 311.10372 174.1
[M+NH4]+ 330.14482 185.3
[M+K]+ 351.07416 174.4
[M+H-H2O]+ 295.10826 161.5
[M+HCOO]- 357.10920 190.7
[M+CH3COO]- 371.12485 214.3
[M+Na-2H]- 333.08567 173.2
[M]+ 312.11045 171.2
[M]- 312.11155 171.2
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