CID 3019454

83898-32-2

Structural Information

Molecular Formula
C23H25N3
SMILES
C1CN(CCC1C(CCC#N)(C#N)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H25N3/c24-15-7-14-23(19-25,21-10-5-2-6-11-21)22-12-16-26(17-13-22)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-14,16-18H2
InChIKey
DYAREKOTPJQVFN-UHFFFAOYSA-N
Compound name
2-(1-benzylpiperidin-4-yl)-2-phenylpentanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.20483 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.212106 190.7
[M+Na]+ 366.194048 197.7
[M-H]- 342.197554 193.7
[M+NH4]+ 361.238653 197.3
[M+K]+ 382.167988 188.3
[M+H-H2O]+ 326.202090 172.4
[M+HCOO]- 388.203031 197.4
[M+CH3COO]- 402.218681 194.2
[M+Na-2H]- 364.179496 190.1
[M]+ 343.20428142 178.8
[M]- 343.20537858 178.8
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

No patent data available for this compound.