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]+ 426.16915 201.4
[M+Na]+ 448.15109 206.9
[M-H]- 424.15459 205.7
[M+NH4]+ 443.19569 207.4
[M+K]+ 464.12503 199.2
[M+H-H2O]+ 408.15913 189.7
[M+HCOO]- 470.16007 211.1
[M+CH3COO]- 484.17572 207.8
[M+Na-2H]- 446.13654 203.8
[M]+ 425.16132 199.2
[M]- 425.16242 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.