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
7
Annotation Hits

1116
References

78478
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

literature stripe

Patent stripe

patents stripe