CID 87465

18136-00-0

Structural Information

Molecular Formula
C19H32N4
SMILES
C1CN(CCC1CCCC2CCN(CC2)CCC#N)CCC#N
InChI
InChI=1S/C19H32N4/c20-10-2-12-22-14-6-18(7-15-22)4-1-5-19-8-16-23(17-9-19)13-3-11-21/h18-19H,1-9,12-17H2
InChIKey
CUFGCSGPBRYOBH-UHFFFAOYSA-N
Compound name
3-[4-[3-[1-(2-cyanoethyl)piperidin-4-yl]propyl]piperidin-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

316.2627 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.26998 168.1
[M+Na]+ 339.25192 173.1
[M-H]- 315.25542 168.9
[M+NH4]+ 334.29652 175.4
[M+K]+ 355.22586 166.9
[M+H-H2O]+ 299.25996 150.3
[M+HCOO]- 361.26090 173.0
[M+CH3COO]- 375.27655 231.9
[M+Na-2H]- 337.23737 166.7
[M]+ 316.26215 156.1
[M]- 316.26325 156.1
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