CID 90709

25080-15-3

Structural Information

Molecular Formula
C29H25BrN6O6
SMILES
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C29H25BrN6O6/c1-19(37)31-24-15-26(34(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21)28(42-2)16-25(24)32-33-29-23(30)13-22(35(38)39)14-27(29)36(40)41/h3-16H,17-18H2,1-2H3,(H,31,37)
InChIKey
JYAAXCNACZCCRH-UHFFFAOYSA-N
Compound name
N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(dibenzylamino)-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.1019 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.10918 242.4
[M+Na]+ 655.09112 245.9
[M+NH4]+ 650.13572 243.4
[M+K]+ 671.06506 247.9
[M-H]- 631.09462 251.4
[M+Na-2H]- 653.07657 247.3
[M]+ 632.10135 244.1
[M]- 632.10245 244.1
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.