CID 3053011

69463-88-3

Structural Information

Molecular Formula
C15H17N5O2S
SMILES
CCC1=NN=C(S1)N(CC(=O)C2=CC=C(C=C2)O)C3=NCCN3
InChI
InChI=1S/C15H17N5O2S/c1-2-13-18-19-15(23-13)20(14-16-7-8-17-14)9-12(22)10-3-5-11(21)6-4-10/h3-6,21H,2,7-9H2,1H3,(H,16,17)
InChIKey
SZKDHDJCQCONHP-UHFFFAOYSA-N
Compound name
2-[4,5-dihydro-1H-imidazol-2-yl-(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1103 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11758 174.2
[M+Na]+ 354.09952 181.3
[M-H]- 330.10302 178.8
[M+NH4]+ 349.14412 185.7
[M+K]+ 370.07346 177.1
[M+H-H2O]+ 314.10756 165.2
[M+HCOO]- 376.10850 188.2
[M+CH3COO]- 390.12415 183.8
[M+Na-2H]- 352.08497 171.9
[M]+ 331.10975 175.2
[M]- 331.11085 175.2
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.