CID 6479470

(e)-3-(5-chloro-2-sec-butoxy-phenyl)-n,n-dimethyl-3-(1,2,4-triazol-1-yl)prop-2-en-1-amine

Structural Information

Molecular Formula
C17H23ClN4O
SMILES
CCC(C)OC1=C(C=C(C=C1)Cl)/C(=C\CN(C)C)/N2C=NC=N2
InChI
InChI=1S/C17H23ClN4O/c1-5-13(2)23-17-7-6-14(18)10-15(17)16(8-9-21(3)4)22-12-19-11-20-22/h6-8,10-13H,5,9H2,1-4H3/b16-8+
InChIKey
AOEWUUHKHWYFPG-LZYBPNLTSA-N
Compound name
(E)-3-(2-butan-2-yloxy-5-chlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.15604 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16332 180.4
[M+Na]+ 357.14526 187.1
[M-H]- 333.14876 184.2
[M+NH4]+ 352.18986 193.0
[M+K]+ 373.11920 182.7
[M+H-H2O]+ 317.15330 170.3
[M+HCOO]- 379.15424 195.8
[M+CH3COO]- 393.16989 215.2
[M+Na-2H]- 355.13071 179.9
[M]+ 334.15549 185.6
[M]- 334.15659 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.