CID 106547

68084-18-4

Structural Information

Molecular Formula
C18H14BrN5O4
SMILES
CCNC1=CC=C(C2=CC=CC=C21)N=NC3=C(C=C(C=C3Br)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H14BrN5O4/c1-2-20-15-7-8-16(13-6-4-3-5-12(13)15)21-22-18-14(19)9-11(23(25)26)10-17(18)24(27)28/h3-10,20H,2H2,1H3
InChIKey
ZZOIADZSKZGBIZ-UHFFFAOYSA-N
Compound name
4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethylnaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.02292 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.03020 198.9
[M+Na]+ 466.01214 203.2
[M+NH4]+ 461.05674 202.3
[M+K]+ 481.98608 205.3
[M-H]- 442.01564 205.4
[M+Na-2H]- 463.99759 202.3
[M]+ 443.02237 200.0
[M]- 443.02347 200.0
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.