CID 3054715

N-((1-methyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-methylsulphonylbenzamide

Structural Information

Molecular Formula
C15H23N3O4S
SMILES
CN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)C
InChI
InChI=1S/C15H23N3O4S/c1-18-6-4-5-10(18)9-17-15(19)11-7-14(23(3,20)21)12(16)8-13(11)22-2/h7-8,10H,4-6,9,16H2,1-3H3,(H,17,19)
InChIKey
IMNSNKQPRAMHHM-UHFFFAOYSA-N
Compound name
4-amino-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-methylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.14093 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14821 178.8
[M+Na]+ 364.13015 185.0
[M-H]- 340.13365 183.9
[M+NH4]+ 359.17475 192.6
[M+K]+ 380.10409 181.6
[M+H-H2O]+ 324.13819 171.6
[M+HCOO]- 386.13913 194.3
[M+CH3COO]- 400.15478 212.9
[M+Na-2H]- 362.11560 177.1
[M]+ 341.14038 180.5
[M]- 341.14148 180.5
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

patents stripe