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 179.3
[M+Na]+ 364.13015 186.2
[M+NH4]+ 359.17475 184.0
[M+K]+ 380.10409 183.0
[M-H]- 340.13365 180.1
[M+Na-2H]- 362.11560 181.6
[M]+ 341.14038 180.4
[M]- 341.14148 180.4
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