CID 4255950

Mesyloxybenzyl methoxyethyl chlorobenzamide

Structural Information

Molecular Formula
C18H20ClNO5S
SMILES
COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H20ClNO5S/c1-24-11-10-20(18(21)15-6-8-16(19)9-7-15)13-14-4-3-5-17(12-14)25-26(2,22)23/h3-9,12H,10-11,13H2,1-2H3
InChIKey
PPBFOAXFZHLGER-UHFFFAOYSA-N
Compound name
[3-[[(4-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

397.07507 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.08235 188.6
[M+Na]+ 420.06429 195.3
[M-H]- 396.06779 196.7
[M+NH4]+ 415.10889 201.1
[M+K]+ 436.03823 191.6
[M+H-H2O]+ 380.07233 181.0
[M+HCOO]- 442.07327 202.5
[M+CH3COO]- 456.08892 220.3
[M+Na-2H]- 418.04974 190.2
[M]+ 397.07452 198.6
[M]- 397.07562 198.6
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

patents stripe