CID 154653556

Palbociclib impurity 194

Structural Information

Molecular Formula
C20H26N4O3
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C1)NC2=NC=C(C=C2)N3C=CC=CC3=O
InChI
InChI=1S/C20H26N4O3/c1-20(2,3)27-19(26)23-15-8-7-14(12-15)22-17-10-9-16(13-21-17)24-11-5-4-6-18(24)25/h4-6,9-11,13-15H,7-8,12H2,1-3H3,(H,21,22)(H,23,26)/t14-,15-/m0/s1
InChIKey
RAUBYIVRSJTQCN-GJZGRUSLSA-N
Compound name
tert-butyl N-[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

370.2005 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.207776 188.5
[M+Na]+ 393.189718 192.8
[M-H]- 369.193224 195.5
[M+NH4]+ 388.234323 198.8
[M+K]+ 409.163658 189.0
[M+H-H2O]+ 353.197760 178.3
[M+HCOO]- 415.198701 207.8
[M+CH3COO]- 429.214351 219.4
[M+Na-2H]- 391.175166 190.4
[M]+ 370.19995142 187.3
[M]- 370.20104858 187.3
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