CID 3682098

N,n-dimethyl-4-(4-nitrophenylazo)-1-naphthylamine

Structural Information

Molecular Formula
C18H16N4O2
SMILES
CN(C)C1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H16N4O2/c1-21(2)18-12-11-17(15-5-3-4-6-16(15)18)20-19-13-7-9-14(10-8-13)22(23)24/h3-12H,1-2H3
InChIKey
TYDHNGUGPAPPNO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

320.12732 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.134596 171.7
[M+Na]+ 343.116538 177.1
[M-H]- 319.120044 183.0
[M+NH4]+ 338.161143 186.6
[M+K]+ 359.090478 170.7
[M+H-H2O]+ 303.124580 165.9
[M+HCOO]- 365.125521 201.7
[M+CH3COO]- 379.141171 218.2
[M+Na-2H]- 341.101986 181.1
[M]+ 320.12677142 172.6
[M]- 320.12786858 172.6
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

patents stripe