CID 49768632

[5-(3,5-dicyanophenoxy)-1-ethyl-4-isopropyl-imidazol-2-yl]methyl carbamate

Structural Information

Molecular Formula
C18H19N5O3
SMILES
CCN1C(=NC(=C1OC2=CC(=CC(=C2)C#N)C#N)C(C)C)COC(=O)N
InChI
InChI=1S/C18H19N5O3/c1-4-23-15(10-25-18(21)24)22-16(11(2)3)17(23)26-14-6-12(8-19)5-13(7-14)9-20/h5-7,11H,4,10H2,1-3H3,(H2,21,24)
InChIKey
UWSXKQWDGBNYSP-UHFFFAOYSA-N
Compound name
[5-(3,5-dicyanophenoxy)-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.1488 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15608 183.4
[M+Na]+ 376.13802 191.7
[M-H]- 352.14152 185.0
[M+NH4]+ 371.18262 190.3
[M+K]+ 392.11196 188.2
[M+H-H2O]+ 336.14606 165.1
[M+HCOO]- 398.14700 193.0
[M+CH3COO]- 412.16265 237.9
[M+Na-2H]- 374.12347 179.6
[M]+ 353.14825 177.1
[M]- 353.14935 177.1
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.