CID 3085687

72066-87-6

Structural Information

Molecular Formula
C20H23BrN6O7
SMILES
CCC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OCCOC)NCC
InChI
InChI=1S/C20H23BrN6O7/c1-4-19(28)23-14-10-16(22-5-2)18(34-7-6-33-3)11-15(14)24-25-20-13(21)8-12(26(29)30)9-17(20)27(31)32/h8-11,22H,4-7H2,1-3H3,(H,23,28)
InChIKey
NZQSKKFYXYUZSE-UHFFFAOYSA-N
Compound name
N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.0812 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.08848 213.6
[M+Na]+ 561.07042 216.7
[M-H]- 537.07392 272.0
[M+NH4]+ 556.11502 270.9
[M+K]+ 577.04436 199.1
[M+H-H2O]+ 521.07846 213.2
[M+HCOO]- 583.07940 279.3
[M+CH3COO]- 597.09505 243.4
[M+Na-2H]- 559.05587 219.6
[M]+ 538.08065 248.5
[M]- 538.08175 248.5
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.