CID 50566

69463-97-4

Structural Information

Molecular Formula
C17H21N5O2S
SMILES
CC(C)C1=NN=C(S1)N(CC(=O)C2=CC=C(C=C2)OC)C3=NCCN3
InChI
InChI=1S/C17H21N5O2S/c1-11(2)15-20-21-17(25-15)22(16-18-8-9-19-16)10-14(23)12-4-6-13(24-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,19)
InChIKey
UKNKVFIGUAZNHV-UHFFFAOYSA-N
Compound name
2-[4,5-dihydro-1H-imidazol-2-yl-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]-1-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1416 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.148876 182.9
[M+Na]+ 382.130818 189.2
[M-H]- 358.134324 188.7
[M+NH4]+ 377.175423 193.9
[M+K]+ 398.104758 185.9
[M+H-H2O]+ 342.138860 173.5
[M+HCOO]- 404.139801 196.7
[M+CH3COO]- 418.155451 213.9
[M+Na-2H]- 380.116266 179.1
[M]+ 359.14105142 185.9
[M]- 359.14214858 185.9
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.