CID 3077662

135017-88-8

Structural Information

Molecular Formula
C20H28N6O
SMILES
CC1CCN(CC1)CC2=CC=C(O2)CNCCN3CCNC3=C(C#N)C#N
InChI
InChI=1S/C20H28N6O/c1-16-4-8-25(9-5-16)15-19-3-2-18(27-19)14-23-6-10-26-11-7-24-20(26)17(12-21)13-22/h2-3,16,23-24H,4-11,14-15H2,1H3
InChIKey
HYRWJXSSFVSUQH-UHFFFAOYSA-N
Compound name
2-[1-[2-[[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

368.23245 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23973 180.8
[M+Na]+ 391.22167 186.0
[M-H]- 367.22517 181.1
[M+NH4]+ 386.26627 185.7
[M+K]+ 407.19561 179.5
[M+H-H2O]+ 351.22971 161.0
[M+HCOO]- 413.23065 185.2
[M+CH3COO]- 427.24630 183.4
[M+Na-2H]- 389.20712 176.0
[M]+ 368.23190 167.9
[M]- 368.23300 167.9
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