CID 52918384

Lanopepden

Structural Information

Molecular Formula
C22H34FN7O4
SMILES
CC1=NC(=C(C(=N1)N2CCN3CCOC[C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(C=O)O
InChI
InChI=1S/C22H34FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h14,16-18,33H,2-13H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1
InChIKey
SWHNZGMQMGFQGW-MSOLQXFVSA-N
Compound name
N-[(2R)-3-[2-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

106
Patents

479.26562 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.27290 211.5
[M+Na]+ 502.25484 215.1
[M+NH4]+ 497.29944 213.3
[M+K]+ 518.22878 214.9
[M-H]- 478.25834 213.2
[M+Na-2H]- 500.24029 211.0
[M]+ 479.26507 211.4
[M]- 479.26617 211.4
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