CID 3045831

61196-97-2

Structural Information

Molecular Formula
C19H23N3O
SMILES
CC(=O)NC1=CC=C(C=C1)[C@@H]2C[C@H](C(N2)(C)C)C3=CC=NC=C3
InChI
InChI=1S/C19H23N3O/c1-13(23)21-16-6-4-15(5-7-16)18-12-17(19(2,3)22-18)14-8-10-20-11-9-14/h4-11,17-18,22H,12H2,1-3H3,(H,21,23)/t17-,18-/m0/s1
InChIKey
NDWUCEWCHKHPPH-ROUUACIJSA-N
Compound name
N-[4-[(2S,4S)-5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.1841 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 175.8
[M+Na]+ 332.17332 188.0
[M+NH4]+ 327.21792 184.4
[M+K]+ 348.14726 180.8
[M-H]- 308.17682 180.5
[M+Na-2H]- 330.15877 184.9
[M]+ 309.18355 178.9
[M]- 309.18465 178.9
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