CID 10348691

Unii-24p4o1j71f

Structural Information

Molecular Formula
C23H20Cl2F3N5O5S
SMILES
C[C@@H](C(=O)N)NS(=O)(=O)C1=CN=C2N1[C@](C(=O)N2C3=CC(=CC(=C3)Cl)Cl)(C)CC4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C23H20Cl2F3N5O5S/c1-12(19(29)34)31-39(36,37)18-11-30-21-32(16-8-14(24)7-15(25)9-16)20(35)22(2,33(18)21)10-13-3-5-17(6-4-13)38-23(26,27)28/h3-9,11-12,31H,10H2,1-2H3,(H2,29,34)/t12-,22+/m0/s1
InChIKey
QSNSVPRLHYSSQG-AMXDTQDGSA-N
Compound name
(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

264
Patents

605.05145 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.05873 219.5
[M+Na]+ 628.04067 225.2
[M+NH4]+ 623.08527 221.2
[M+K]+ 644.01461 223.0
[M-H]- 604.04417 216.0
[M+Na-2H]- 626.02612 222.2
[M]+ 605.05090 219.6
[M]- 605.05200 219.6
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