CID 24777525

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

Structural Information

Molecular Formula
C18H23N5O
SMILES
CC/C=N/NC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C
InChI
InChI=1S/C18H23N5O/c1-3-8-19-21-17-13-15(14-6-4-5-7-16(14)20-17)18(24)23-11-9-22(2)10-12-23/h4-8,13H,3,9-12H2,1-2H3,(H,20,21)/b19-8+
InChIKey
ADDQNTULBMIDAE-UFWORHAWSA-N
Compound name
(4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.19025 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19753 179.7
[M+Na]+ 348.17947 184.6
[M-H]- 324.18297 183.4
[M+NH4]+ 343.22407 190.4
[M+K]+ 364.15341 179.6
[M+H-H2O]+ 308.18751 168.2
[M+HCOO]- 370.18845 197.1
[M+CH3COO]- 384.20410 216.7
[M+Na-2H]- 346.16492 184.1
[M]+ 325.18970 176.9
[M]- 325.19080 176.9
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.