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 174.9
[M+Na]+ 332.17332 181.0
[M-H]- 308.17682 180.8
[M+NH4]+ 327.21792 189.5
[M+K]+ 348.14726 175.4
[M+H-H2O]+ 292.18136 165.6
[M+HCOO]- 354.18230 193.3
[M+CH3COO]- 368.19795 184.8
[M+Na-2H]- 330.15877 176.0
[M]+ 309.18355 171.2
[M]- 309.18465 171.2
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