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 180.7
[M+Na]+ 391.22167 185.3
[M-H]- 367.22517 181.5
[M+NH4]+ 386.26627 185.7
[M+K]+ 407.19561 179.4
[M+H-H2O]+ 351.22971 160.4
[M+HCOO]- 413.23065 185.3
[M+CH3COO]- 427.24630 237.2
[M+Na-2H]- 389.20712 175.8
[M]+ 368.23190 168.2
[M]- 368.23300 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

No literature data available for this compound.

Patent stripe

patents stripe