CID 50562

69463-83-8

Structural Information

Molecular Formula
C16H19N5OS
SMILES
CC(C)C1=NN=C(S1)N(CC(=O)C2=CC=CC=C2)C3=NCCN3
InChI
InChI=1S/C16H19N5OS/c1-11(2)14-19-20-16(23-14)21(15-17-8-9-18-15)10-13(22)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,18)
InChIKey
SNMSPWVVAOTDAD-UHFFFAOYSA-N
Compound name
2-[4,5-dihydro-1H-imidazol-2-yl-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.13104 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13832 173.1
[M+Na]+ 352.12026 182.9
[M+NH4]+ 347.16486 179.3
[M+K]+ 368.09420 180.0
[M-H]- 328.12376 175.9
[M+Na-2H]- 350.10571 179.8
[M]+ 329.13049 175.4
[M]- 329.13159 175.4
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.