CID 5278853

(2r)-2-[[4-[4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3h-imidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C30H35N7O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCN(CC4)CC5=NC(=NO5)C6=CC=C(C=C6)C(C)(C)C
InChI
InChI=1S/C30H35N7O5/c1-29(2,3)22-7-5-21(6-8-22)27-32-26(42-33-27)18-34-13-15-35(16-14-34)23-9-11-24(12-10-23)40-20-30(4)19-36-17-25(37(38)39)31-28(36)41-30/h5-12,17H,13-16,18-20H2,1-4H3/t30-/m1/s1
InChIKey
VKGPKAMLOMBKSV-SSEXGKCCSA-N
Compound name
(2R)-2-[[4-[4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.26996 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.27724 230.5
[M+Na]+ 596.25918 233.6
[M-H]- 572.26268 242.3
[M+NH4]+ 591.30378 229.7
[M+K]+ 612.23312 227.0
[M+H-H2O]+ 556.26722 222.5
[M+HCOO]- 618.26816 240.2
[M+CH3COO]- 632.28381 246.3
[M+Na-2H]- 594.24463 230.1
[M]+ 573.26941 231.6
[M]- 573.27051 231.6
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.