CID 23653514

N-[(2r)-5-(aminosulfonyl)-2,3-dihydro-1h-inden-2-yl]-2-propylpentanamide

Structural Information

Molecular Formula
C17H26N2O3S
SMILES
CCCC(CCC)C(=O)N[C@@H]1CC2=C(C1)C=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)/t15-/m1/s1
InChIKey
XBYJCVDSFWJBSM-OAHLLOKOSA-N
Compound name
2-propyl-N-[(2R)-5-sulfamoyl-2,3-dihydro-1H-inden-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

338.1664 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17368 181.0
[M+Na]+ 361.15562 185.5
[M-H]- 337.15912 184.1
[M+NH4]+ 356.20022 197.0
[M+K]+ 377.12956 181.6
[M+H-H2O]+ 321.16366 174.8
[M+HCOO]- 383.16460 195.6
[M+CH3COO]- 397.18025 213.7
[M+Na-2H]- 359.14107 180.0
[M]+ 338.16585 182.9
[M]- 338.16695 182.9
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