CID 115840

Dtxsid70867086

Structural Information

Molecular Formula
C26H23N5O5
SMILES
CC(=O)C(C(=O)NC1=C(C=C(C=C1)OC)OC)N=NC2=CC=CC=C2C3=NC(=NO3)C4=CC=CC=C4
InChI
InChI=1S/C26H23N5O5/c1-16(32)23(25(33)27-21-14-13-18(34-2)15-22(21)35-3)30-29-20-12-8-7-11-19(20)26-28-24(31-36-26)17-9-5-4-6-10-17/h4-15,23H,1-3H3,(H,27,33)
InChIKey
VJLXPIHJIADFRF-UHFFFAOYSA-N
Compound name
N-(2,4-dimethoxyphenyl)-3-oxo-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]diazenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

485.16992 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.17720 216.1
[M+Na]+ 508.15914 220.4
[M-H]- 484.16264 229.9
[M+NH4]+ 503.20374 220.1
[M+K]+ 524.13308 218.9
[M+H-H2O]+ 468.16718 202.8
[M+HCOO]- 530.16812 240.2
[M+CH3COO]- 544.18377 249.1
[M+Na-2H]- 506.14459 217.4
[M]+ 485.16937 222.1
[M]- 485.17047 222.1
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.