CID 5485915

63134-31-6

Structural Information

Molecular Formula
C31H38N4O5
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)NNC(=O)C)C(C)(C)CC
InChI
InChI=1S/C31H38N4O5/c1-8-30(4,5)21-10-16-28(26(18-21)31(6,7)9-2)40-27-17-15-24(35(38)39)19-25(27)29(37)32-22-11-13-23(14-12-22)34-33-20(3)36/h10-19,34H,8-9H2,1-7H3,(H,32,37)(H,33,36)
InChIKey
XUIOFXBSILOFII-UHFFFAOYSA-N
Compound name
N-[4-(2-acetylhydrazinyl)phenyl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.28424 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.29152 232.8
[M+Na]+ 569.27346 232.5
[M-H]- 545.27696 241.4
[M+NH4]+ 564.31806 235.3
[M+K]+ 585.24740 225.6
[M+H-H2O]+ 529.28150 226.1
[M+HCOO]- 591.28244 251.8
[M+CH3COO]- 605.29809 255.8
[M+Na-2H]- 567.25891 235.9
[M]+ 546.28369 233.5
[M]- 546.28479 233.5
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.