CID 4347038

1-methyl-6-(4-nitrophenylazo)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C16H16N4O2
SMILES
CN1CCCC2=C1C=CC(=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H16N4O2/c1-19-10-2-3-12-11-14(6-9-16(12)19)18-17-13-4-7-15(8-5-13)20(21)22/h4-9,11H,2-3,10H2,1H3
InChIKey
JAMJMXOIUFLMNT-UHFFFAOYSA-N
Compound name
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(4-nitrophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12732 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.134596 165.0
[M+Na]+ 319.116538 170.1
[M-H]- 295.120044 173.3
[M+NH4]+ 314.161143 179.3
[M+K]+ 335.090478 162.8
[M+H-H2O]+ 279.124580 159.3
[M+HCOO]- 341.125521 190.2
[M+CH3COO]- 355.141171 207.4
[M+Na-2H]- 317.101986 174.2
[M]+ 296.12677142 162.4
[M]- 296.12786858 162.4
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.