CID 448954

Pd040669

Structural Information

Molecular Formula
C22H35N5O4S
SMILES
C1CCC(CC1)S(=O)(=O)NCC(=O)N[C@H](CCNC2=CC=NC=C2)C(=O)N3CCCCC3
InChI
InChI=1S/C22H35N5O4S/c28-21(17-25-32(30,31)19-7-3-1-4-8-19)26-20(22(29)27-15-5-2-6-16-27)11-14-24-18-9-12-23-13-10-18/h9-10,12-13,19-20,25H,1-8,11,14-17H2,(H,23,24)(H,26,28)/t20-/m1/s1
InChIKey
KMUXFASJKPVMGU-HXUWFJFHSA-N
Compound name
2-(cyclohexylsulfonylamino)-N-[(2R)-1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.24097 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.24825 202.9
[M+Na]+ 488.23019 198.6
[M-H]- 464.23369 205.9
[M+NH4]+ 483.27479 205.8
[M+K]+ 504.20413 194.9
[M+H-H2O]+ 448.23823 192.0
[M+HCOO]- 510.23917 209.9
[M+CH3COO]- 524.25482 235.5
[M+Na-2H]- 486.21564 203.2
[M]+ 465.24042 195.4
[M]- 465.24152 195.4
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

No patent data available for this compound.