CID 6475898

(2,4-dichloro-benzyl)-((e)-3-phenyl-allyl)-[1,2,4]triazol-4-yl-amine

Structural Information

Molecular Formula
C18H16Cl2N4
SMILES
C1=CC=C(C=C1)/C=C/CN(CC2=C(C=C(C=C2)Cl)Cl)N3C=NN=C3
InChI
InChI=1S/C18H16Cl2N4/c19-17-9-8-16(18(20)11-17)12-23(24-13-21-22-14-24)10-4-7-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2/b7-4+
InChIKey
COAFHWFBQPQOPD-QPJJXVBHSA-N
Compound name
N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.0752 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.08248 183.0
[M+Na]+ 381.06442 191.4
[M-H]- 357.06792 188.6
[M+NH4]+ 376.10902 194.5
[M+K]+ 397.03836 183.4
[M+H-H2O]+ 341.07246 171.4
[M+HCOO]- 403.07340 195.5
[M+CH3COO]- 417.08905 192.6
[M+Na-2H]- 379.04987 185.3
[M]+ 358.07465 186.8
[M]- 358.07575 186.8
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.