CID 24777007

[2-(n'-benzylidene-hydrazino)-quinolin-4-yl]-(4-methyl-piperazin-1-yl)-methanone

Structural Information

Molecular Formula
C22H23N5O
SMILES
CN1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)N/N=C/C4=CC=CC=C4
InChI
InChI=1S/C22H23N5O/c1-26-11-13-27(14-12-26)22(28)19-15-21(24-20-10-6-5-9-18(19)20)25-23-16-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,24,25)/b23-16+
InChIKey
YHIXZFGCFNXQNV-XQNSMLJCSA-N
Compound name
[2-[(2E)-2-benzylidenehydrazinyl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.19025 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19753 190.7
[M+Na]+ 396.17947 195.0
[M-H]- 372.18297 197.1
[M+NH4]+ 391.22407 198.6
[M+K]+ 412.15341 188.3
[M+H-H2O]+ 356.18751 177.4
[M+HCOO]- 418.18845 207.9
[M+CH3COO]- 432.20410 198.3
[M+Na-2H]- 394.16492 195.6
[M]+ 373.18970 186.4
[M]- 373.19080 186.4
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.