CID 57648

100243-27-4

Structural Information

Molecular Formula
C17H26N4O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCC2C3CCN(N2)CC3
InChI
InChI=1S/C17H26N4O4S/c1-25-16-5-4-13(26(18,23)24)11-14(16)17(22)19-8-2-3-15-12-6-9-21(20-15)10-7-12/h4-5,11-12,15,20H,2-3,6-10H2,1H3,(H,19,22)(H2,18,23,24)
InChIKey
RYVUSCLBWGINKK-UHFFFAOYSA-N
Compound name
N-[3-(1,2-diazabicyclo[2.2.2]octan-3-yl)propyl]-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.16748 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17476 183.7
[M+Na]+ 405.15670 185.0
[M-H]- 381.16020 177.5
[M+NH4]+ 400.20130 195.8
[M+K]+ 421.13064 182.1
[M+H-H2O]+ 365.16474 177.8
[M+HCOO]- 427.16568 185.6
[M+CH3COO]- 441.18133 222.6
[M+Na-2H]- 403.14215 192.5
[M]+ 382.16693 186.5
[M]- 382.16803 186.5
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.