CID 16077790

2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-n-(2-chloro-4-oxazol-4-yl-phenyl)acetamide

Structural Information

Molecular Formula
C19H14Cl2N6O2S
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=COC=N4)Cl)Cl
InChI
InChI=1S/C19H14Cl2N6O2S/c1-11-2-5-17(14(21)6-11)27-19(24-25-26-27)30-9-18(28)23-15-4-3-12(7-13(15)20)16-8-29-10-22-16/h2-8,10H,9H2,1H3,(H,23,28)
InChIKey
ZWZYENAHBMQXPF-UHFFFAOYSA-N
Compound name
2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(1,3-oxazol-4-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.0276 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.03488 202.5
[M+Na]+ 483.01682 215.0
[M-H]- 459.02032 211.3
[M+NH4]+ 478.06142 208.6
[M+K]+ 498.99076 208.1
[M+H-H2O]+ 443.02486 192.1
[M+HCOO]- 505.02580 209.2
[M+CH3COO]- 519.04145 211.8
[M+Na-2H]- 481.00227 199.7
[M]+ 460.02705 212.0
[M]- 460.02815 212.0
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.