CID 57647

100243-26-3

Structural Information

Molecular Formula
C18H28N4O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCN2CCC3CCN2CC3
InChI
InChI=1S/C18H28N4O4S/c1-26-17-4-3-15(27(19,24)25)13-16(17)18(23)20-8-2-9-21-10-5-14-6-11-22(21)12-7-14/h3-4,13-14H,2,5-12H2,1H3,(H,20,23)(H2,19,24,25)
InChIKey
URZUIOBTBDBOFL-UHFFFAOYSA-N
Compound name
N-[3-(1,2-diazabicyclo[3.2.2]nonan-2-yl)propyl]-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.18314 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19042 199.5
[M+Na]+ 419.17236 204.2
[M-H]- 395.17586 199.7
[M+NH4]+ 414.21696 211.3
[M+K]+ 435.14630 204.8
[M+H-H2O]+ 379.18040 196.5
[M+HCOO]- 441.18134 203.9
[M+CH3COO]- 455.19699 204.7
[M+Na-2H]- 417.15781 205.8
[M]+ 396.18259 200.8
[M]- 396.18369 200.8
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.