CID 508858

2-(4-chlorophenoxy)-n-[2-[[(3r)-1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]pyridine-3-carboxamide

Structural Information

Molecular Formula
C24H26ClN5O4
SMILES
CC1=C(C(=NO1)C)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=C(N=CC=C3)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H26ClN5O4/c1-15-21(16(2)34-29-15)14-30-11-9-18(13-30)28-22(31)12-27-23(32)20-4-3-10-26-24(20)33-19-7-5-17(25)6-8-19/h3-8,10,18H,9,11-14H2,1-2H3,(H,27,32)(H,28,31)/t18-/m1/s1
InChIKey
KOGQOGUJZWREON-GOSISDBHSA-N
Compound name
2-(4-chlorophenoxy)-N-[2-[[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.16733 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.17461 215.3
[M+Na]+ 506.15655 220.2
[M-H]- 482.16005 225.4
[M+NH4]+ 501.20115 220.6
[M+K]+ 522.13049 215.8
[M+H-H2O]+ 466.16459 204.1
[M+HCOO]- 528.16553 229.1
[M+CH3COO]- 542.18118 239.2
[M+Na-2H]- 504.14200 211.2
[M]+ 483.16678 219.4
[M]- 483.16788 219.4
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.