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]+ 340.14043 179.2
[M+Na]+ 362.12237 188.0
[M-H]- 338.12587 180.9
[M+NH4]+ 357.16697 186.5
[M+K]+ 378.09631 184.3
[M+H-H2O]+ 322.13041 160.9
[M+HCOO]- 384.13135 189.7
[M+CH3COO]- 398.14700 235.5
[M+Na-2H]- 360.10782 176.5
[M]+ 339.13260 173.1
[M]- 339.13370 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.