CID 135565424

Amg-221

Structural Information

Molecular Formula
C14H22N2OS
SMILES
CC(C)[C@]1(C(=O)NC(=N[C@H]2C[C@@H]3CC[C@H]2C3)S1)C
InChI
InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
InChIKey
YCNCXQNUXCHRRX-ZHPDPMBESA-N
Compound name
(5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

180
Patents

266.1453 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.152576 165.7
[M+Na]+ 289.134518 172.4
[M-H]- 265.138024 170.5
[M+NH4]+ 284.179123 190.3
[M+K]+ 305.108458 169.4
[M+H-H2O]+ 249.142560 161.9
[M+HCOO]- 311.143501 179.2
[M+CH3COO]- 325.159151 177.0
[M+Na-2H]- 287.119966 161.7
[M]+ 266.14475142 164.7
[M]- 266.14584858 164.7
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