CID 505317

2-chloro-4-[(3,4-dichlorophenyl)methyl-[3-(5-methyl-1h-1,2,4-triazol-3-yl)-3-oxo-propanoyl]amino]benzamide

Structural Information

Molecular Formula
C20H16Cl3N5O3
SMILES
CC1=NC(=NN1)C(=O)CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)C(=O)N)Cl
InChI
InChI=1S/C20H16Cl3N5O3/c1-10-25-20(27-26-10)17(29)8-18(30)28(9-11-2-5-14(21)16(23)6-11)12-3-4-13(19(24)31)15(22)7-12/h2-7H,8-9H2,1H3,(H2,24,31)(H,25,26,27)
InChIKey
ZGDDECOTDNDGBA-UHFFFAOYSA-N
Compound name
2-chloro-4-[(3,4-dichlorophenyl)methyl-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-3-oxopropanoyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.03186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.03914 203.5
[M+Na]+ 502.02108 211.2
[M-H]- 478.02458 208.2
[M+NH4]+ 497.06568 209.6
[M+K]+ 517.99502 204.7
[M+H-H2O]+ 462.02912 194.3
[M+HCOO]- 524.03006 207.7
[M+CH3COO]- 538.04571 237.2
[M+Na-2H]- 500.00653 199.1
[M]+ 479.03131 207.9
[M]- 479.03241 207.9
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.