CID 9588319

Brn 4580153

Structural Information

Molecular Formula
C17H21N3O6S
SMILES
CC(C)(C)OC(=O)N/N=C(/C1=CC=C(O1)S(=O)(=O)C2=CC=C(C=C2)OC)\N
InChI
InChI=1S/C17H21N3O6S/c1-17(2,3)26-16(21)20-19-15(18)13-9-10-14(25-13)27(22,23)12-7-5-11(24-4)6-8-12/h5-10H,1-4H3,(H2,18,19)(H,20,21)
InChIKey
CIFYOVRVVUEBLV-UHFFFAOYSA-N
Compound name
tert-butyl N-[(Z)-[amino-[5-(4-methoxyphenyl)sulfonylfuran-2-yl]methylidene]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1151 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.12238 191.4
[M+Na]+ 418.10432 197.0
[M+NH4]+ 413.14892 194.5
[M+K]+ 434.07826 195.9
[M-H]- 394.10782 193.1
[M+Na-2H]- 416.08977 194.4
[M]+ 395.11455 192.6
[M]- 395.11565 192.6
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

No patent data available for this compound.