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]+ 297.13460 165.0
[M+Na]+ 319.11654 170.1
[M-H]- 295.12004 173.3
[M+NH4]+ 314.16114 179.3
[M+K]+ 335.09048 162.8
[M+H-H2O]+ 279.12458 159.3
[M+HCOO]- 341.12552 190.2
[M+CH3COO]- 355.14117 207.4
[M+Na-2H]- 317.10199 174.2
[M]+ 296.12677 162.4
[M]- 296.12787 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.