CID 16077728

[1,1'-biphenyl]-4-acetamide, 3'-chloro-4'-[[[[1-(2-chloro-4-methylphenyl)-1h-tetrazol-5-yl]thio]acetyl]amino]-

Structural Information

Molecular Formula
C24H20Cl2N6O2S
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=CC=C(C=C4)CC(=O)N)Cl)Cl
InChI
InChI=1S/C24H20Cl2N6O2S/c1-14-2-9-21(19(26)10-14)32-24(29-30-31-32)35-13-23(34)28-20-8-7-17(12-18(20)25)16-5-3-15(4-6-16)11-22(27)33/h2-10,12H,11,13H2,1H3,(H2,27,33)(H,28,34)
InChIKey
LFFVGNALVLKFPR-UHFFFAOYSA-N
Compound name
2-[4-[3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.0745 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.08178 218.9
[M+Na]+ 549.06372 227.7
[M-H]- 525.06722 226.5
[M+NH4]+ 544.10832 222.2
[M+K]+ 565.03766 218.6
[M+H-H2O]+ 509.07176 208.0
[M+HCOO]- 571.07270 223.6
[M+CH3COO]- 585.08835 225.4
[M+Na-2H]- 547.04917 215.4
[M]+ 526.07395 225.1
[M]- 526.07505 225.1
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.