CID 134542980

N'-methylamisulpride

Structural Information

Molecular Formula
C18H29N3O4S
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)NC)S(=O)(=O)CC
InChI
InChI=1S/C18H29N3O4S/c1-5-21-9-7-8-13(21)12-20-18(22)14-10-17(26(23,24)6-2)15(19-3)11-16(14)25-4/h10-11,13,19H,5-9,12H2,1-4H3,(H,20,22)
InChIKey
NXKXZXNNWRYXRE-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxy-4-(methylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

28
Patents

383.18787 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19515 191.3
[M+Na]+ 406.17709 196.1
[M-H]- 382.18059 196.3
[M+NH4]+ 401.22169 203.6
[M+K]+ 422.15103 192.5
[M+H-H2O]+ 366.18513 183.5
[M+HCOO]- 428.18607 206.4
[M+CH3COO]- 442.20172 222.3
[M+Na-2H]- 404.16254 189.3
[M]+ 383.18732 195.0
[M]- 383.18842 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

No literature data available for this compound.

Patent stripe

patents stripe