CID 108921

60316-43-0

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CNC1=CC=CC2=C1C(=O)C3=C(C2=O)C=CC=C3NC
InChI
InChI=1S/C16H14N2O2/c1-17-11-7-3-5-9-13(11)16(20)14-10(15(9)19)6-4-8-12(14)18-2/h3-8,17-18H,1-2H3
InChIKey
WBNXSOGPMIRTPK-UHFFFAOYSA-N
Compound name
1,8-bis(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

266.10553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 158.8
[M+Na]+ 289.09475 172.9
[M+NH4]+ 284.13935 167.8
[M+K]+ 305.06869 164.9
[M-H]- 265.09825 163.5
[M+Na-2H]- 287.08020 165.1
[M]+ 266.10498 162.1
[M]- 266.10608 162.1
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