CID 14320105

Hc orange no. 5

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NCCN
InChI
InChI=1S/C16H14N2O2/c17-7-8-18-10-5-6-13-14(9-10)16(20)12-4-2-1-3-11(12)15(13)19/h1-6,9,18H,7-8,17H2
InChIKey
VCBHNMILEWXGLS-UHFFFAOYSA-N
Compound name
2-(2-aminoethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1028
Patents

266.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 158.9
[M+Na]+ 289.09475 172.3
[M+NH4]+ 284.13935 167.7
[M+K]+ 305.06869 164.3
[M-H]- 265.09825 163.4
[M+Na-2H]- 287.08020 164.9
[M]+ 266.10498 162.0
[M]- 266.10608 162.0
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