CID 106547

1-naphthalenamine, 4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-n-ethyl-

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 193.9
[M+Na]+ 466.01214 199.8
[M-H]- 442.01564 204.8
[M+NH4]+ 461.05674 205.3
[M+K]+ 481.98608 181.0
[M+H-H2O]+ 426.02018 195.8
[M+HCOO]- 488.02112 219.2
[M+CH3COO]- 502.03677 226.0
[M+Na-2H]- 463.99759 203.6
[M]+ 443.02237 211.0
[M]- 443.02347 211.0
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.