CID 3064097

1-piperazinecarboxamide, n-(5-(7-chloro-4-quinolylamino)-2-hydroxybenzyl)-4-methyl-, dihydrochloride

Structural Information

Molecular Formula
C22H24ClN5O2
SMILES
CN1CCN(CC1)C(=O)NCC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O
InChI
InChI=1S/C22H24ClN5O2/c1-27-8-10-28(11-9-27)22(30)25-14-15-12-17(3-5-21(15)29)26-19-6-7-24-20-13-16(23)2-4-18(19)20/h2-7,12-13,29H,8-11,14H2,1H3,(H,24,26)(H,25,30)
InChIKey
QHSLSGPCLNVADG-UHFFFAOYSA-N
Compound name
N-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]-4-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

425.16187 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.169146 201.4
[M+Na]+ 448.151088 206.9
[M-H]- 424.154594 205.7
[M+NH4]+ 443.195693 207.4
[M+K]+ 464.125028 199.2
[M+H-H2O]+ 408.159130 189.7
[M+HCOO]- 470.160071 211.1
[M+CH3COO]- 484.175721 207.8
[M+Na-2H]- 446.136536 203.8
[M]+ 425.16132142 199.2
[M]- 425.16241858 199.2
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

No patent data available for this compound.