CID 24777402

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

Structural Information

Molecular Formula
C20H21N5O2
SMILES
CN1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)N/N=C/C4=CC=CO4
InChI
InChI=1S/C20H21N5O2/c1-24-8-10-25(11-9-24)20(26)17-13-19(22-18-7-3-2-6-16(17)18)23-21-14-15-5-4-12-27-15/h2-7,12-14H,8-11H2,1H3,(H,22,23)/b21-14+
InChIKey
YMWHNWRWBYWNIV-KGENOOAVSA-N
Compound name
[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.16953 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17681 185.9
[M+Na]+ 386.15875 192.1
[M-H]- 362.16225 194.2
[M+NH4]+ 381.20335 195.1
[M+K]+ 402.13269 187.6
[M+H-H2O]+ 346.16679 174.0
[M+HCOO]- 408.16773 205.5
[M+CH3COO]- 422.18338 195.2
[M+Na-2H]- 384.14420 190.1
[M]+ 363.16898 185.4
[M]- 363.17008 185.4
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.