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]+ 360.14888 182.9
[M+Na]+ 382.13082 189.2
[M-H]- 358.13432 188.7
[M+NH4]+ 377.17542 193.9
[M+K]+ 398.10476 185.9
[M+H-H2O]+ 342.13886 173.5
[M+HCOO]- 404.13980 196.7
[M+CH3COO]- 418.15545 213.9
[M+Na-2H]- 380.11627 179.1
[M]+ 359.14105 185.9
[M]- 359.14215 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.