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]+ 310.191376 174.9
[M+Na]+ 332.173318 181.0
[M-H]- 308.176824 180.8
[M+NH4]+ 327.217923 189.5
[M+K]+ 348.147258 175.4
[M+H-H2O]+ 292.181360 165.6
[M+HCOO]- 354.182301 193.3
[M+CH3COO]- 368.197951 184.8
[M+Na-2H]- 330.158766 176.0
[M]+ 309.18355142 171.2
[M]- 309.18464858 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