CID 484471

Chembl522948

Structural Information

Molecular Formula
C20H16Cl2N4
SMILES
C1=CC=C2C(=C1)C=CC=C2CN(CC3=C(C=C(C=C3)Cl)Cl)N4C=NN=C4
InChI
InChI=1S/C20H16Cl2N4/c21-18-9-8-17(20(22)10-18)12-25(26-13-23-24-14-26)11-16-6-3-5-15-4-1-2-7-19(15)16/h1-10,13-14H,11-12H2
InChIKey
ATGWFGWCMRTLSO-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)methyl]-N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

382.0752 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08248 187.8
[M+Na]+ 405.06442 198.2
[M-H]- 381.06792 194.8
[M+NH4]+ 400.10902 199.4
[M+K]+ 421.03836 189.7
[M+H-H2O]+ 365.07246 175.9
[M+HCOO]- 427.07340 200.5
[M+CH3COO]- 441.08905 197.8
[M+Na-2H]- 403.04987 192.0
[M]+ 382.07465 193.8
[M]- 382.07575 193.8
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.