CID 11574920

N-(2-chloro-5-methyl-phenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C19H20ClN5OS
SMILES
CC1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=NN2C3=C(C=C(C=C3C)C)C
InChI
InChI=1S/C19H20ClN5OS/c1-11-5-6-15(20)16(9-11)21-17(26)10-27-19-22-23-24-25(19)18-13(3)7-12(2)8-14(18)4/h5-9H,10H2,1-4H3,(H,21,26)
InChIKey
HTDTVIIWNLTNKJ-UHFFFAOYSA-N
Compound name
N-(2-chloro-5-methylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1077 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11498 195.0
[M+Na]+ 424.09692 206.2
[M-H]- 400.10042 201.0
[M+NH4]+ 419.14152 204.4
[M+K]+ 440.07086 198.1
[M+H-H2O]+ 384.10496 185.2
[M+HCOO]- 446.10590 205.2
[M+CH3COO]- 460.12155 204.6
[M+Na-2H]- 422.08237 192.0
[M]+ 401.10715 201.9
[M]- 401.10825 201.9
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.