CID 10005052

Schembl675967

Structural Information

Molecular Formula
C19H16Cl3N5O
SMILES
C1CCN(C1)NC(=O)C2=NN(C(=N2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H16Cl3N5O/c20-13-5-3-12(4-6-13)18-23-17(19(28)25-26-9-1-2-10-26)24-27(18)16-8-7-14(21)11-15(16)22/h3-8,11H,1-2,9-10H2,(H,25,28)
InChIKey
ONYKENLNZNVNBN-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

435.04205 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.04933 199.5
[M+Na]+ 458.03127 208.0
[M-H]- 434.03477 205.3
[M+NH4]+ 453.07587 207.8
[M+K]+ 474.00521 200.2
[M+H-H2O]+ 418.03931 187.2
[M+HCOO]- 480.04025 202.7
[M+CH3COO]- 494.05590 206.8
[M+Na-2H]- 456.01672 194.8
[M]+ 435.04150 200.7
[M]- 435.04260 200.7
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

patents stripe