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 175.5
[M+Na]+ 352.12026 181.7
[M-H]- 328.12376 181.0
[M+NH4]+ 347.16486 187.5
[M+K]+ 368.09420 178.1
[M+H-H2O]+ 312.12830 165.9
[M+HCOO]- 374.12924 189.4
[M+CH3COO]- 388.14489 185.1
[M+Na-2H]- 350.10571 172.6
[M]+ 329.13049 176.4
[M]- 329.13159 176.4
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.