CID 6887515

N'-[(e)-(2-chloro-5-nitrophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Structural Information

Molecular Formula
C24H18Cl2N6O3S
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H18Cl2N6O3S/c1-15-2-8-19(9-3-15)31-23(16-4-6-18(25)7-5-16)29-30-24(31)36-14-22(33)28-27-13-17-12-20(32(34)35)10-11-21(17)26/h2-13H,14H2,1H3,(H,28,33)/b27-13+
InChIKey
OYIBKPQGRZBZSR-UVHMKAGCSA-N
Compound name
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.05383 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.06111 221.5
[M+Na]+ 563.04305 237.6
[M+NH4]+ 558.08765 227.2
[M+K]+ 579.01699 230.5
[M-H]- 539.04655 229.8
[M+Na-2H]- 561.02850 231.2
[M]+ 540.05328 227.0
[M]- 540.05438 227.0
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.