CID 459053

7-(2,5-dichlorophenylazo)-3,4-dihydro-1(2h)-quinolineethanol

Structural Information

Molecular Formula
C17H17Cl2N3O
SMILES
C1CC2=C(C=CC(=C2)N=NC3=C(C=CC(=C3)Cl)Cl)N(C1)CCO
InChI
InChI=1S/C17H17Cl2N3O/c18-13-3-5-15(19)16(11-13)21-20-14-4-6-17-12(10-14)2-1-7-22(17)8-9-23/h3-6,10-11,23H,1-2,7-9H2
InChIKey
IAJATXONHCONDK-UHFFFAOYSA-N
Compound name
2-[6-[(2,5-dichlorophenyl)diazenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.07486 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.08214 179.6
[M+Na]+ 372.06408 188.1
[M-H]- 348.06758 185.7
[M+NH4]+ 367.10868 194.0
[M+K]+ 388.03802 181.1
[M+H-H2O]+ 332.07212 171.2
[M+HCOO]- 394.07306 192.6
[M+CH3COO]- 408.08871 189.8
[M+Na-2H]- 370.04953 184.2
[M]+ 349.07431 182.4
[M]- 349.07541 182.4
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.