CID 21156103

73287-62-4

Structural Information

Molecular Formula
C16H16BrClN4O4
SMILES
C1=CC(=CC=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Cl)N(CCO)CCO
InChI
InChI=1S/C16H16BrClN4O4/c17-14-9-13(22(25)26)10-15(18)16(14)20-19-11-1-3-12(4-2-11)21(5-7-23)6-8-24/h1-4,9-10,23-24H,5-8H2
InChIKey
DEOMZNUMYKZOTM-UHFFFAOYSA-N
Compound name
2-[4-[(2-bromo-6-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.00436 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.01164 190.7
[M+Na]+ 464.99358 198.3
[M-H]- 440.99708 200.1
[M+NH4]+ 460.03818 203.2
[M+K]+ 480.96752 182.0
[M+H-H2O]+ 425.00162 190.8
[M+HCOO]- 487.00256 211.4
[M+CH3COO]- 501.01821 225.7
[M+Na-2H]- 462.97903 196.4
[M]+ 442.00381 212.3
[M]- 442.00491 212.3
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.