CID 25194

Amopyroquin hydrochloride

Structural Information

Molecular Formula
C20H20ClN3O
SMILES
C1CCN(C1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O
InChI
InChI=1S/C20H20ClN3O/c21-15-3-5-17-18(7-8-22-19(17)12-15)23-16-4-6-20(25)14(11-16)13-24-9-1-2-10-24/h3-8,11-12,25H,1-2,9-10,13H2,(H,22,23)
InChIKey
YNWCUCSDUMVJKR-UHFFFAOYSA-N
Compound name
4-[(7-chloroquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

495
Patents

353.1295 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13678 183.2
[M+Na]+ 376.11872 190.8
[M-H]- 352.12222 189.5
[M+NH4]+ 371.16332 195.9
[M+K]+ 392.09266 182.5
[M+H-H2O]+ 336.12676 173.3
[M+HCOO]- 398.12770 196.9
[M+CH3COO]- 412.14335 192.6
[M+Na-2H]- 374.10417 185.3
[M]+ 353.12895 182.2
[M]- 353.13005 182.2
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