CID 3051000

Hydroquinone, 2,5-bis(bis(2'-chloroethyl)amino)-, diacetate

Structural Information

Molecular Formula
C18H24Cl4N2O4
SMILES
CC(=O)OC1=CC(=C(C=C1N(CCCl)CCCl)OC(=O)C)N(CCCl)CCCl
InChI
InChI=1S/C18H24Cl4N2O4/c1-13(25)27-17-11-16(24(9-5-21)10-6-22)18(28-14(2)26)12-15(17)23(7-3-19)8-4-20/h11-12H,3-10H2,1-2H3
InChIKey
HOJPQQYJAOCBEN-UHFFFAOYSA-N
Compound name
[4-acetyloxy-2,5-bis[bis(2-chloroethyl)amino]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.049 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.05628 202.9
[M+Na]+ 495.03822 212.8
[M+NH4]+ 490.08282 207.7
[M+K]+ 511.01216 205.9
[M-H]- 471.04172 203.0
[M+Na-2H]- 493.02367 205.1
[M]+ 472.04845 205.1
[M]- 472.04955 205.1
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.