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

12
Patents

320.12732 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13460 171.7
[M+Na]+ 343.11654 177.1
[M-H]- 319.12004 183.0
[M+NH4]+ 338.16114 186.6
[M+K]+ 359.09048 170.7
[M+H-H2O]+ 303.12458 165.9
[M+HCOO]- 365.12552 201.7
[M+CH3COO]- 379.14117 218.2
[M+Na-2H]- 341.10199 181.1
[M]+ 320.12677 172.6
[M]- 320.12787 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