CID 3058064

Icig 1491

Structural Information

Molecular Formula
C15H23Cl2NO7
SMILES
CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)N(CCCl)CCCl
InChI
InChI=1S/C15H23Cl2NO7/c1-9(19)23-12-8-22-15(18(6-4-16)7-5-17)14(25-11(3)21)13(12)24-10(2)20/h12-15H,4-8H2,1-3H3/t12-,13-,14-,15-/m1/s1
InChIKey
HZJPZWOZELCNHN-KBUPBQIOSA-N
Compound name
[(3R,4R,5R,6R)-4,5-diacetyloxy-6-[bis(2-chloroethyl)amino]oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.08514 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.09242 183.9
[M+Na]+ 422.07436 188.8
[M-H]- 398.07786 188.4
[M+NH4]+ 417.11896 195.7
[M+K]+ 438.04830 188.8
[M+H-H2O]+ 382.08240 179.2
[M+HCOO]- 444.08334 192.9
[M+CH3COO]- 458.09899 223.0
[M+Na-2H]- 420.05981 181.2
[M]+ 399.08459 193.5
[M]- 399.08569 193.5
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.