CID 3077668

135017-95-7

Structural Information

Molecular Formula
C20H28N6O
SMILES
CN(CCN1CCNC1=C(C#N)C#N)CC2=CC=C(O2)CN3CCCCC3
InChI
InChI=1S/C20H28N6O/c1-24(11-12-26-10-7-23-20(26)17(13-21)14-22)15-18-5-6-19(27-18)16-25-8-3-2-4-9-25/h5-6,23H,2-4,7-12,15-16H2,1H3
InChIKey
UUCACPDYLNYPTA-UHFFFAOYSA-N
Compound name
2-[1-[2-[methyl-[[5-(piperidin-1-ylmethyl)furan-2-yl]methyl]amino]ethyl]imidazolidin-2-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 206.7
[M+Na]+ 391.22167 211.9
[M+NH4]+ 386.26627 205.3
[M+K]+ 407.19561 203.7
[M-H]- 367.22517 197.4
[M+Na-2H]- 389.20712 202.9
[M]+ 368.23190 203.3
[M]- 368.23300 203.3
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