CID 3051977

Brn 0444666

Structural Information

Molecular Formula
C15H24N4O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)NS(=O)(=O)N)OC
InChI
InChI=1S/C15H24N4O4S/c1-3-19-8-4-5-12(19)10-17-15(20)13-9-11(18-24(16,21)22)6-7-14(13)23-2/h6-7,9,12,18H,3-5,8,10H2,1-2H3,(H,17,20)(H2,16,21,22)
InChIKey
JEJNOOWNOVKPAM-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-(sulfamoylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

356.15182 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15910 181.4
[M+Na]+ 379.14104 186.6
[M+NH4]+ 374.18564 185.5
[M+K]+ 395.11498 183.8
[M-H]- 355.14454 182.3
[M+Na-2H]- 377.12649 183.8
[M]+ 356.15127 182.2
[M]- 356.15237 182.2
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