CID 3051978

Brn 0498779

Structural Information

Molecular Formula
C16H24ClN3O4S
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)Cl)NS(=O)(=O)C
InChI
InChI=1S/C16H24ClN3O4S/c1-4-20-7-5-6-11(20)10-18-16(21)12-8-14(19-25(3,22)23)13(17)9-15(12)24-2/h8-9,11,19H,4-7,10H2,1-3H3,(H,18,21)
InChIKey
ZUNMZCCDRLBDHW-UHFFFAOYSA-N
Compound name
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

389.1176 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.12488 190.0
[M+Na]+ 412.10682 196.3
[M-H]- 388.11032 195.5
[M+NH4]+ 407.15142 203.0
[M+K]+ 428.08076 191.5
[M+H-H2O]+ 372.11486 183.4
[M+HCOO]- 434.11580 201.3
[M+CH3COO]- 448.13145 219.9
[M+Na-2H]- 410.09227 188.4
[M]+ 389.11705 195.0
[M]- 389.11815 195.0
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