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

1032
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 156.9
[M+Na]+ 289.09475 165.4
[M-H]- 265.09825 162.1
[M+NH4]+ 284.13935 175.0
[M+K]+ 305.06869 160.3
[M+H-H2O]+ 249.10279 149.7
[M+HCOO]- 311.10373 179.4
[M+CH3COO]- 325.11938 204.6
[M+Na-2H]- 287.08020 164.0
[M]+ 266.10498 156.0
[M]- 266.10608 156.0
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