CID 3077656

135017-82-2

Structural Information

Molecular Formula
C17H24N6O
SMILES
CCN(C)CC1=CC=C(O1)CNCCN2CCNC2=C(C#N)C#N
InChI
InChI=1S/C17H24N6O/c1-3-22(2)13-16-5-4-15(24-16)12-20-6-8-23-9-7-21-17(23)14(10-18)11-19/h4-5,20-21H,3,6-9,12-13H2,1-2H3
InChIKey
NPDBRPLRDKQUMC-UHFFFAOYSA-N
Compound name
2-[1-[2-[[5-[[ethyl(methyl)amino]methyl]furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

328.20117 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20845 177.8
[M+Na]+ 351.19039 183.3
[M-H]- 327.19389 178.9
[M+NH4]+ 346.23499 185.0
[M+K]+ 367.16433 179.8
[M+H-H2O]+ 311.19843 158.5
[M+HCOO]- 373.19937 186.4
[M+CH3COO]- 387.21502 235.1
[M+Na-2H]- 349.17584 174.6
[M]+ 328.20062 168.2
[M]- 328.20172 168.2
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