CID 3077664

135017-89-9

Structural Information

Molecular Formula
C20H28N6O2
SMILES
COC1CCCN(C1)CC2=CC=C(O2)CNCCN3CCNC3=C(C#N)C#N
InChI
InChI=1S/C20H28N6O2/c1-27-18-3-2-8-25(14-18)15-19-5-4-17(28-19)13-23-6-9-26-10-7-24-20(26)16(11-21)12-22/h4-5,18,23-24H,2-3,6-10,13-15H2,1H3
InChIKey
KNECVBKLZJDAMM-UHFFFAOYSA-N
Compound name
2-[1-[2-[[5-[(3-methoxypiperidin-1-yl)methyl]furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

384.2274 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23468 181.2
[M+Na]+ 407.21662 186.2
[M-H]- 383.22012 181.5
[M+NH4]+ 402.26122 185.6
[M+K]+ 423.19056 180.3
[M+H-H2O]+ 367.22466 161.4
[M+HCOO]- 429.22560 185.7
[M+CH3COO]- 443.24125 237.4
[M+Na-2H]- 405.20207 176.6
[M]+ 384.22685 169.2
[M]- 384.22795 169.2
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