CID 76338

1,5-bis(methylamino)anthraquinone

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
1
Annotation Hits

0
References

30
Patents

266.10553 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 156.8
[M+Na]+ 289.09475 166.2
[M-H]- 265.09825 162.8
[M+NH4]+ 284.13935 175.4
[M+K]+ 305.06869 161.4
[M+H-H2O]+ 249.10279 149.7
[M+HCOO]- 311.10373 179.9
[M+CH3COO]- 325.11938 206.4
[M+Na-2H]- 287.08020 164.1
[M]+ 266.10498 157.3
[M]- 266.10608 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