CID 3516032

315698-07-8

Structural Information

Molecular Formula
C21H23ClN4O
SMILES
CCN1CCN(CC1)C(C2=CN=CC=C2)C3=CC(=C4C=CC=NC4=C3O)Cl
InChI
InChI=1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3
InChIKey
XAFSFXYJOJWLJD-UHFFFAOYSA-N
Compound name
5-chloro-7-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

382.15604 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16332 192.9
[M+Na]+ 405.14526 199.3
[M-H]- 381.14876 195.4
[M+NH4]+ 400.18986 199.5
[M+K]+ 421.11920 190.9
[M+H-H2O]+ 365.15330 180.2
[M+HCOO]- 427.15424 198.8
[M+CH3COO]- 441.16989 199.6
[M+Na-2H]- 403.13071 194.7
[M]+ 382.15549 190.6
[M]- 382.15659 190.6
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

No patent data available for this compound.