CID 24843196

Brn 5635731

Structural Information

Molecular Formula
C15H18ClN3O5
SMILES
C1[C@H](CN([C@@H]1C(=O)OCC2=CC=CC=C2)C(=O)N(CCCl)N=O)O
InChI
InChI=1S/C15H18ClN3O5/c16-6-7-19(17-23)15(22)18-9-12(20)8-13(18)14(21)24-10-11-4-2-1-3-5-11/h1-5,12-13,20H,6-10H2/t12-,13+/m1/s1
InChIKey
OKOUAEQZKBOWRG-OLZOCXBDSA-N
Compound name
benzyl (2S,4R)-1-[2-chloroethyl(nitroso)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0935 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10078 178.7
[M+Na]+ 378.08272 183.5
[M-H]- 354.08622 185.1
[M+NH4]+ 373.12732 192.4
[M+K]+ 394.05666 181.8
[M+H-H2O]+ 338.09076 170.6
[M+HCOO]- 400.09170 197.1
[M+CH3COO]- 414.10735 215.4
[M+Na-2H]- 376.06817 178.4
[M]+ 355.09295 183.0
[M]- 355.09405 183.0
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.