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]+ 473.056276 202.4
[M+Na]+ 495.038218 208.1
[M-H]- 471.041724 205.1
[M+NH4]+ 490.082823 213.2
[M+K]+ 511.012158 204.2
[M+H-H2O]+ 455.046260 198.0
[M+HCOO]- 517.047201 206.3
[M+CH3COO]- 531.062851 240.2
[M+Na-2H]- 493.023666 197.9
[M]+ 472.04845142 213.3
[M]- 472.04954858 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.