CID 59534386

Lazucirnon

Structural Information

Molecular Formula
C27H34ClN5O3
SMILES
CC1=CC(=CC(=N1)NC(=O)[C@H]2CCC(=O)N2C3CCN(CC3)CC4=CC(=C(C=C4)Cl)C)C(=O)N(C)C
InChI
InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1
InChIKey
DWKNOLCXIFYNFV-HSZRJFAPSA-N
Compound name
2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

4683
Patents

511.23502 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.24230 226.3
[M+Na]+ 534.22424 229.5
[M-H]- 510.22774 235.6
[M+NH4]+ 529.26884 230.7
[M+K]+ 550.19818 223.9
[M+H-H2O]+ 494.23228 214.2
[M+HCOO]- 556.23322 235.4
[M+CH3COO]- 570.24887 251.8
[M+Na-2H]- 532.20969 218.1
[M]+ 511.23447 225.8
[M]- 511.23557 225.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe