CID 3077658

135017-84-4

Structural Information

Molecular Formula
C18H24N6O
SMILES
C1CCN(C1)CC2=CC=C(O2)CNCCN3CCNC3=C(C#N)C#N
InChI
InChI=1S/C18H24N6O/c19-11-15(12-20)18-22-6-10-24(18)9-5-21-13-16-3-4-17(25-16)14-23-7-1-2-8-23/h3-4,21-22H,1-2,5-10,13-14H2
InChIKey
XLRRYRJJRDMOHP-UHFFFAOYSA-N
Compound name
2-[1-[2-[[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

340.20117 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20845 199.2
[M+Na]+ 363.19039 204.0
[M+NH4]+ 358.23499 197.8
[M+K]+ 379.16433 197.2
[M-H]- 339.19389 189.4
[M+Na-2H]- 361.17584 195.3
[M]+ 340.20062 195.5
[M]- 340.20172 195.5
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

patents stripe