CID 5275216

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

Structural Information

Molecular Formula
C19H20Cl2N6OS
SMILES
CCN(CC)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C19H20Cl2N6OS/c1-3-26(4-2)13-9-10-17(15(21)11-13)27-19(23-24-25-27)29-12-18(28)22-16-8-6-5-7-14(16)20/h5-11H,3-4,12H2,1-2H3,(H,22,28)
InChIKey
VYUXLPIPGPCATB-UHFFFAOYSA-N
Compound name
2-[1-[2-chloro-4-(diethylamino)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.07965 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.08693 201.0
[M+Na]+ 473.06887 209.6
[M-H]- 449.07237 206.9
[M+NH4]+ 468.11347 208.6
[M+K]+ 489.04281 202.4
[M+H-H2O]+ 433.07691 190.5
[M+HCOO]- 495.07785 207.7
[M+CH3COO]- 509.09350 209.1
[M+Na-2H]- 471.05432 199.4
[M]+ 450.07910 208.8
[M]- 450.08020 208.8
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.