CID 134019

Pixantrone

Structural Information

Molecular Formula
C17H19N5O2
SMILES
C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C2=O)C=NC=C3)NCCN
InChI
InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2
InChIKey
PEZPMAYDXJQYRV-UHFFFAOYSA-N
Compound name
6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

105
References

20967
Patents

325.15387 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16115 174.8
[M+Na]+ 348.14309 185.1
[M+NH4]+ 343.18769 181.2
[M+K]+ 364.11703 178.5
[M-H]- 324.14659 178.6
[M+Na-2H]- 346.12854 178.6
[M]+ 325.15332 176.9
[M]- 325.15442 176.9
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