CID 2745260

Maybridge4_004573

Structural Information

Molecular Formula
C15H13ClN4O3S
SMILES
CC1=C(C(=NO1)C(=O)NN)C2=CSC(=N2)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H13ClN4O3S/c1-8-13(14(20-23-8)15(21)19-17)11-7-24-12(18-11)6-22-10-4-2-9(16)3-5-10/h2-5,7H,6,17H2,1H3,(H,19,21)
InChIKey
YJKASRAMMWDASY-UHFFFAOYSA-N
Compound name
4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

364.0397 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.046976 182.1
[M+Na]+ 387.028918 193.1
[M-H]- 363.032424 191.9
[M+NH4]+ 382.073523 195.3
[M+K]+ 403.002858 188.5
[M+H-H2O]+ 347.036960 174.6
[M+HCOO]- 409.037901 198.7
[M+CH3COO]- 423.053551 194.0
[M+Na-2H]- 385.014366 181.4
[M]+ 364.03915142 190.2
[M]- 364.04024858 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.