CID 9604836

1-(2,4-dichlorophenyl)-n-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine

Structural Information

Molecular Formula
C16H18Cl2N4O3
SMILES
CC1(OCC(O1)CO/N=C(\CN2C=NC=N2)/C3=C(C=C(C=C3)Cl)Cl)C
InChI
InChI=1S/C16H18Cl2N4O3/c1-16(2)23-7-12(25-16)8-24-21-15(6-22-10-19-9-20-22)13-4-3-11(17)5-14(13)18/h3-5,9-10,12H,6-8H2,1-2H3/b21-15+
InChIKey
VXWJNHYKCIHWQE-RCCKNPSSSA-N
Compound name
(Z)-1-(2,4-dichlorophenyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0756 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.08288 186.8
[M+Na]+ 407.06482 195.2
[M-H]- 383.06832 194.5
[M+NH4]+ 402.10942 198.5
[M+K]+ 423.03876 192.6
[M+H-H2O]+ 367.07286 177.4
[M+HCOO]- 429.07380 196.7
[M+CH3COO]- 443.08945 196.9
[M+Na-2H]- 405.05027 186.8
[M]+ 384.07505 193.5
[M]- 384.07615 193.5
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.