CID 478379

N4-hydroxy-2-isobutyl-n1-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)-succinamide

Structural Information

Molecular Formula
C25H36N4O4
SMILES
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1CC2=CN(CCCCCCNC1=O)C3=CC=CC=C23
InChI
InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
InChIKey
GCBPAPVOMPJQHK-NQIIRXRSSA-N
Compound name
(2R)-N'-hydroxy-2-(2-methylpropyl)-N-[(10S)-9-oxo-1,8-diazatricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

456.27365 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.28093 207.5
[M+Na]+ 479.26287 207.1
[M-H]- 455.26637 203.2
[M+NH4]+ 474.30747 212.4
[M+K]+ 495.23681 204.1
[M+H-H2O]+ 439.27091 202.9
[M+HCOO]- 501.27185 215.8
[M+CH3COO]- 515.28750 229.9
[M+Na-2H]- 477.24832 204.1
[M]+ 456.27310 200.4
[M]- 456.27420 200.4
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