CID 16077791

Acetamide, 2-[[1-(2-chloro-4-methylphenyl)-1h-tetrazol-5-yl]thio]-n-[2-chloro-4-(2-methyloxazol-4-yl)phenyl]-

Structural Information

Molecular Formula
C20H16Cl2N6O2S
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=COC(=N4)C)Cl)Cl
InChI
InChI=1S/C20H16Cl2N6O2S/c1-11-3-6-18(15(22)7-11)28-20(25-26-27-28)31-10-19(29)24-16-5-4-13(8-14(16)21)17-9-30-12(2)23-17/h3-9H,10H2,1-2H3,(H,24,29)
InChIKey
SFYAZVPTXVFEJC-UHFFFAOYSA-N
Compound name
N-[2-chloro-4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.04324 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.05052 207.9
[M+Na]+ 497.03246 220.7
[M-H]- 473.03596 216.9
[M+NH4]+ 492.07706 213.7
[M+K]+ 513.00640 213.6
[M+H-H2O]+ 457.04050 197.6
[M+HCOO]- 519.04144 214.3
[M+CH3COO]- 533.05709 217.0
[M+Na-2H]- 495.01791 203.9
[M]+ 474.04269 218.1
[M]- 474.04379 218.1
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.