CID 3051976

Brn 0453180

Structural Information

Molecular Formula
C15H23ClN4O4S
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)Cl)NS(=O)(=O)N
InChI
InChI=1S/C15H23ClN4O4S/c1-3-20-6-4-5-10(20)9-18-15(21)11-7-13(19-25(17,22)23)12(16)8-14(11)24-2/h7-8,10,19H,3-6,9H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKey
GHLVSRMYLMVGKV-UHFFFAOYSA-N
Compound name
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-(sulfamoylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

390.11285 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12013 188.9
[M+Na]+ 413.10207 194.6
[M-H]- 389.10557 193.9
[M+NH4]+ 408.14667 201.1
[M+K]+ 429.07601 189.8
[M+H-H2O]+ 373.11011 182.1
[M+HCOO]- 435.11105 200.8
[M+CH3COO]- 449.12670 221.9
[M+Na-2H]- 411.08752 187.7
[M]+ 390.11230 191.8
[M]- 390.11340 191.8
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