CID 3006666

1-(2-benzyloxyethoxymethyl)imidazole-4,5-dicarbonitrile

Structural Information

Molecular Formula
C15H14N4O2
SMILES
C1=CC=C(C=C1)COCCOCN2C=NC(=C2C#N)C#N
InChI
InChI=1S/C15H14N4O2/c16-8-14-15(9-17)19(11-18-14)12-21-7-6-20-10-13-4-2-1-3-5-13/h1-5,11H,6-7,10,12H2
InChIKey
QQTWVUTVFCJHLI-UHFFFAOYSA-N
Compound name
1-(2-phenylmethoxyethoxymethyl)imidazole-4,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.11166 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 164.7
[M+Na]+ 305.10088 173.8
[M-H]- 281.10438 166.2
[M+NH4]+ 300.14548 173.7
[M+K]+ 321.07482 169.0
[M+H-H2O]+ 265.10892 146.1
[M+HCOO]- 327.10986 176.0
[M+CH3COO]- 341.12551 225.4
[M+Na-2H]- 303.08633 165.6
[M]+ 282.11111 158.7
[M]- 282.11221 158.7
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.