CID 3003958

Nsc355147

Structural Information

Molecular Formula
C19H21N3
SMILES
C[C@H]1[C@@H](N[C@@H](C[C@]1(C#N)N)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H21N3/c1-14-18(16-10-6-3-7-11-16)22-17(12-19(14,21)13-20)15-8-4-2-5-9-15/h2-11,14,17-18,22H,12,21H2,1H3/t14-,17-,18+,19+/m0/s1
InChIKey
HUSDDKCTLLCYKF-WQANXHIZSA-N
Compound name
(2R,3S,4S,6S)-4-amino-3-methyl-2,6-diphenylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.17355 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.18083 175.8
[M+Na]+ 314.16277 184.1
[M-H]- 290.16627 180.0
[M+NH4]+ 309.20737 188.5
[M+K]+ 330.13671 174.8
[M+H-H2O]+ 274.17081 160.5
[M+HCOO]- 336.17175 189.8
[M+CH3COO]- 350.18740 183.6
[M+Na-2H]- 312.14822 177.6
[M]+ 291.17300 163.5
[M]- 291.17410 163.5
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.