CID 162532

42852-92-6

Structural Information

Molecular Formula
C25H23BrN6O6
SMILES
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CC=C)CC3=CC=CC=C3
InChI
InChI=1S/C25H23BrN6O6/c1-4-10-30(15-17-8-6-5-7-9-17)22-13-20(27-16(2)33)21(14-24(22)38-3)28-29-25-19(26)11-18(31(34)35)12-23(25)32(36)37/h4-9,11-14H,1,10,15H2,2-3H3,(H,27,33)
InChIKey
YSZZWYQJLRICAX-UHFFFAOYSA-N
Compound name
N-[5-[benzyl(prop-2-enyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

582.08624 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.09352 220.9
[M+Na]+ 605.07546 224.8
[M+NH4]+ 600.12006 227.3
[M+K]+ 621.04940 230.3
[M-H]- 581.07896 217.9
[M+Na-2H]- 603.06091 215.2
[M]+ 582.08569 222.2
[M]- 582.08679 222.2
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

patents stripe