CID 16753136

N-boc-alpha-(phenylsulfonyl)-4-methoxybenzylamine

Structural Information

Molecular Formula
C19H23NO5S
SMILES
CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO5S/c1-19(2,3)25-18(21)20-17(14-10-12-15(24-4)13-11-14)26(22,23)16-8-6-5-7-9-16/h5-13,17H,1-4H3,(H,20,21)
InChIKey
JBOXLVHIHXWCPQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[benzenesulfonyl-(4-methoxyphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

377.1297 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13698 187.9
[M+Na]+ 400.11892 192.7
[M-H]- 376.12242 194.2
[M+NH4]+ 395.16352 199.5
[M+K]+ 416.09286 190.1
[M+H-H2O]+ 360.12696 179.9
[M+HCOO]- 422.12790 202.9
[M+CH3COO]- 436.14355 215.2
[M+Na-2H]- 398.10437 190.9
[M]+ 377.12915 193.0
[M]- 377.13025 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe