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 191.9
[M+Na]+ 418.10432 196.9
[M-H]- 394.10782 200.3
[M+NH4]+ 413.14892 203.2
[M+K]+ 434.07826 196.6
[M+H-H2O]+ 378.11236 184.2
[M+HCOO]- 440.11330 210.6
[M+CH3COO]- 454.12895 223.8
[M+Na-2H]- 416.08977 195.0
[M]+ 395.11455 197.9
[M]- 395.11565 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

No patent data available for this compound.