CID 11515607

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

Structural Information

Molecular Formula
C17H17N5O3
SMILES
CCC1=C(N(C(=N1)COC(=O)N)CC)OC2=CC(=CC(=C2)C#N)C#N
InChI
InChI=1S/C17H17N5O3/c1-3-14-16(22(4-2)15(21-14)10-24-17(20)23)25-13-6-11(8-18)5-12(7-13)9-19/h5-7H,3-4,10H2,1-2H3,(H2,20,23)
InChIKey
GUQHZIYMIQEZOY-UHFFFAOYSA-N
Compound name
[5-(3,5-dicyanophenoxy)-1,4-diethylimidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.13315 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.140426 179.2
[M+Na]+ 362.122368 188.0
[M-H]- 338.125874 180.9
[M+NH4]+ 357.166973 186.5
[M+K]+ 378.096308 184.3
[M+H-H2O]+ 322.130410 160.9
[M+HCOO]- 384.131351 189.7
[M+CH3COO]- 398.147001 235.5
[M+Na-2H]- 360.107816 176.5
[M]+ 339.13260142 173.1
[M]- 339.13369858 173.1
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.