CID 131846

Kw 5092

Structural Information

Molecular Formula
C19H26N6O
SMILES
C1CCN(CC1)CC2=CC=C(O2)CNCCN3CCNC3=C(C#N)C#N
InChI
InChI=1S/C19H26N6O/c20-12-16(13-21)19-23-7-11-25(19)10-6-22-14-17-4-5-18(26-17)15-24-8-2-1-3-9-24/h4-5,22-23H,1-3,6-11,14-15H2
InChIKey
OKPXRTAMAGECKK-UHFFFAOYSA-N
Compound name
2-[1-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

14
Patents

354.2168 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.22408 177.6
[M+Na]+ 377.20602 182.5
[M-H]- 353.20952 177.7
[M+NH4]+ 372.25062 182.6
[M+K]+ 393.17996 176.1
[M+H-H2O]+ 337.21406 157.6
[M+HCOO]- 399.21500 182.1
[M+CH3COO]- 413.23065 180.3
[M+Na-2H]- 375.19147 173.5
[M]+ 354.21625 164.2
[M]- 354.21735 164.2
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