CID 3516032

Brd 4354

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

7
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

literature stripe

Patent stripe

patents stripe