CID 5064727

Mesyloxybenzyl isobutylbenzenesulfonamide

Structural Information

Molecular Formula
C18H23NO5S2
SMILES
CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H23NO5S2/c1-15(2)13-19(26(22,23)18-7-5-4-6-8-18)14-16-9-11-17(12-10-16)24-25(3,20)21/h4-12,15H,13-14H2,1-3H3
InChIKey
OJLQAKFAPWMHNS-UHFFFAOYSA-N
Compound name
[4-[[benzenesulfonyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

397.10178 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.10906 191.3
[M+Na]+ 420.09100 196.5
[M-H]- 396.09450 198.2
[M+NH4]+ 415.13560 202.6
[M+K]+ 436.06494 192.5
[M+H-H2O]+ 380.09904 183.0
[M+HCOO]- 442.09998 202.6
[M+CH3COO]- 456.11563 219.9
[M+Na-2H]- 418.07645 194.0
[M]+ 397.10123 197.9
[M]- 397.10233 197.9
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