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 202.4
[M+Na]+ 495.03822 208.1
[M-H]- 471.04172 205.1
[M+NH4]+ 490.08282 213.2
[M+K]+ 511.01216 204.2
[M+H-H2O]+ 455.04626 198.0
[M+HCOO]- 517.04720 206.3
[M+CH3COO]- 531.06285 240.2
[M+Na-2H]- 493.02367 197.9
[M]+ 472.04845 213.3
[M]- 472.04955 213.3
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.