CID 9604834

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-imidazol-1-yl-1-phenyl-ethanimine

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CC1(OCC(O1)CO/N=C(\CN2C=CN=C2)/C3=CC=CC=C3)C
InChI
InChI=1S/C17H21N3O3/c1-17(2)21-11-15(23-17)12-22-19-16(10-20-9-8-18-13-20)14-6-4-3-5-7-14/h3-9,13,15H,10-12H2,1-2H3/b19-16+
InChIKey
YDSWBZCOIICCOD-KNTRCKAVSA-N
Compound name
(Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-imidazol-1-yl-1-phenylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 172.2
[M+Na]+ 338.14752 177.9
[M-H]- 314.15102 181.7
[M+NH4]+ 333.19212 186.4
[M+K]+ 354.12146 178.0
[M+H-H2O]+ 298.15556 163.4
[M+HCOO]- 360.15650 193.5
[M+CH3COO]- 374.17215 206.7
[M+Na-2H]- 336.13297 175.1
[M]+ 315.15775 175.4
[M]- 315.15885 175.4
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.