CID 86775169

Benzyl n-(2-{2-[2-(chlorosulfonyl)ethoxy]ethoxy}ethyl)carbamate

Structural Information

Molecular Formula
C14H20ClNO6S
SMILES
C1=CC=C(C=C1)COC(=O)NCCOCCOCCS(=O)(=O)Cl
InChI
InChI=1S/C14H20ClNO6S/c15-23(18,19)11-10-21-9-8-20-7-6-16-14(17)22-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,17)
InChIKey
DSDFRGGRWQBQEH-UHFFFAOYSA-N
Compound name
benzyl N-[2-[2-(2-chlorosulfonylethoxy)ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.06998 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07726 179.0
[M+Na]+ 388.05920 184.2
[M-H]- 364.06270 181.9
[M+NH4]+ 383.10380 192.1
[M+K]+ 404.03314 180.6
[M+H-H2O]+ 348.06724 172.5
[M+HCOO]- 410.06818 192.6
[M+CH3COO]- 424.08383 208.3
[M+Na-2H]- 386.04465 182.2
[M]+ 365.06943 189.2
[M]- 365.07053 189.2
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.