CID 71384

Dexrazoxane

Structural Information

Molecular Formula
C11H16N4O4
SMILES
C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
InChI
InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1
InChIKey
BMKDZUISNHGIBY-ZETCQYMHSA-N
Compound name
4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1119
References

77046
Patents

268.11716 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12444 164.3
[M+Na]+ 291.10638 169.5
[M-H]- 267.10988 161.9
[M+NH4]+ 286.15098 173.3
[M+K]+ 307.08032 165.4
[M+H-H2O]+ 251.11442 155.1
[M+HCOO]- 313.11536 173.0
[M+CH3COO]- 327.13101 192.8
[M+Na-2H]- 289.09183 162.9
[M]+ 268.11661 156.1
[M]- 268.11771 156.1
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

No patent data available for this compound.