CID 103430

1h-imidazole-1-propanenitrile, 4,5-bis[(2-cyanoethoxy)methyl]-2-phenyl-

Structural Information

Molecular Formula
C20H21N5O2
SMILES
C1=CC=C(C=C1)C2=NC(=C(N2CCC#N)COCCC#N)COCCC#N
InChI
InChI=1S/C20H21N5O2/c21-9-4-12-25-19(16-27-14-6-11-23)18(15-26-13-5-10-22)24-20(25)17-7-2-1-3-8-17/h1-3,7-8H,4-6,12-16H2
InChIKey
XGQUSGCBVBFRGX-UHFFFAOYSA-N
Compound name
3-[4,5-bis(2-cyanoethoxymethyl)-2-phenylimidazol-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

326
Patents

363.16953 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17681 176.3
[M+Na]+ 386.15875 182.9
[M-H]- 362.16225 178.1
[M+NH4]+ 381.20335 180.3
[M+K]+ 402.13269 178.6
[M+H-H2O]+ 346.16679 160.7
[M+HCOO]- 408.16773 180.5
[M+CH3COO]- 422.18338 245.9
[M+Na-2H]- 384.14420 173.6
[M]+ 363.16898 170.1
[M]- 363.17008 170.1
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

patents stripe