CID 3051974

Brn 0450845

Structural Information

Molecular Formula
C16H26N4O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=C(C(=C2)NS(=O)(=O)N)C)OC
InChI
InChI=1S/C16H26N4O4S/c1-4-20-7-5-6-12(20)10-18-16(21)13-9-14(19-25(17,22)23)11(2)8-15(13)24-3/h8-9,12,19H,4-7,10H2,1-3H3,(H,18,21)(H2,17,22,23)
InChIKey
AUJUWRKVARWCMJ-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-methyl-5-(sulfamoylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

370.16748 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17476 186.3
[M+Na]+ 393.15670 191.6
[M+NH4]+ 388.20130 190.2
[M+K]+ 409.13064 188.7
[M-H]- 369.16020 187.2
[M+Na-2H]- 391.14215 188.1
[M]+ 370.16693 187.0
[M]- 370.16803 187.0
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