CID 76338

1,5-bis(methylamino)anthracene-9,10-dione

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

266.10553 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.112806 156.8
[M+Na]+ 289.094748 166.2
[M-H]- 265.098254 162.8
[M+NH4]+ 284.139353 175.4
[M+K]+ 305.068688 161.4
[M+H-H2O]+ 249.102790 149.7
[M+HCOO]- 311.103731 179.9
[M+CH3COO]- 325.119381 206.4
[M+Na-2H]- 287.080196 164.1
[M]+ 266.10498142 157.3
[M]- 266.10607858 157.3
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