CID 139073994

N-[1-(5-acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-phenylethyl]acetamide

Structural Information

Molecular Formula
C17H22N4O3S
SMILES
CC(=O)NC1=NN([C@](S1)(C)[C@H](CC2=CC=CC=C2)NC(=O)C)C(=O)C
InChI
InChI=1S/C17H22N4O3S/c1-11(22)18-15(10-14-8-6-5-7-9-14)17(4)21(13(3)24)20-16(25-17)19-12(2)23/h5-9,15H,10H2,1-4H3,(H,18,22)(H,19,20,23)/t15-,17-/m0/s1
InChIKey
MXJGXPGYJRYHDM-RDJZCZTQSA-N
Compound name
N-[(5S)-5-[(1S)-1-acetamido-2-phenylethyl]-4-acetyl-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3278
References

0
Patents

362.14127 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14855 184.7
[M+Na]+ 385.13049 189.6
[M-H]- 361.13399 188.8
[M+NH4]+ 380.17509 198.1
[M+K]+ 401.10443 186.9
[M+H-H2O]+ 345.13853 177.1
[M+HCOO]- 407.13947 198.9
[M+CH3COO]- 421.15512 216.6
[M+Na-2H]- 383.11594 182.7
[M]+ 362.14072 186.9
[M]- 362.14182 186.9
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

No patent data available for this compound.