CID 71253

Alpiropride

Structural Information

Molecular Formula
C17H26N4O4S
SMILES
CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NCC2CCCN2CC=C)OC)N
InChI
InChI=1S/C17H26N4O4S/c1-4-7-21-8-5-6-12(21)11-20-17(22)13-9-16(26(23,24)19-2)14(18)10-15(13)25-3/h4,9-10,12,19H,1,5-8,11,18H2,2-3H3,(H,20,22)
InChIKey
QRQMZZNDJGHPHZ-UHFFFAOYSA-N
Compound name
4-amino-2-methoxy-5-(methylsulfamoyl)-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1393
Patents

382.16748 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17476 189.8
[M+Na]+ 405.15670 194.9
[M+NH4]+ 400.20130 193.3
[M+K]+ 421.13064 191.8
[M-H]- 381.16020 190.4
[M+Na-2H]- 403.14215 191.3
[M]+ 382.16693 190.4
[M]- 382.16803 190.4
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