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

10
Patents

341.14093 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.148206 178.8
[M+Na]+ 364.130148 185.0
[M-H]- 340.133654 183.9
[M+NH4]+ 359.174753 192.6
[M+K]+ 380.104088 181.6
[M+H-H2O]+ 324.138190 171.6
[M+HCOO]- 386.139131 194.3
[M+CH3COO]- 400.154781 212.9
[M+Na-2H]- 362.115596 177.1
[M]+ 341.14038142 180.5
[M]- 341.14147858 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