CID 3038575

41590-63-0

Structural Information

Molecular Formula
C20H22ClNO2
SMILES
CCC(CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O)Cl
InChI
InChI=1S/C20H22ClNO2/c1-2-14(21)11-22-9-8-12-4-3-5-15-18(12)16(22)10-13-6-7-17(23)20(24)19(13)15/h3-7,14,16,23-24H,2,8-11H2,1H3
InChIKey
VZLHCDZRJYJKMD-UHFFFAOYSA-N
Compound name
6-(2-chlorobutyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1339 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14118 180.4
[M+Na]+ 366.12312 187.7
[M-H]- 342.12662 181.0
[M+NH4]+ 361.16772 195.5
[M+K]+ 382.09706 180.4
[M+H-H2O]+ 326.13116 173.1
[M+HCOO]- 388.13210 186.5
[M+CH3COO]- 402.14775 188.9
[M+Na-2H]- 364.10857 183.3
[M]+ 343.13335 181.1
[M]- 343.13445 181.1
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.