CID 24776893

(4-methylpiperazin-1-yl)-[2-[(2e)-2-(3-pyridylmethylene)hydrazino]-4-quinolyl]methanone

Structural Information

Molecular Formula
C21H22N6O
SMILES
CN1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)N/N=C/C4=CN=CC=C4
InChI
InChI=1S/C21H22N6O/c1-26-9-11-27(12-10-26)21(28)18-13-20(24-19-7-3-2-6-17(18)19)25-23-15-16-5-4-8-22-14-16/h2-8,13-15H,9-12H2,1H3,(H,24,25)/b23-15+
InChIKey
AUADCQISJMHNHX-HZHRSRAPSA-N
Compound name
(4-methylpiperazin-1-yl)-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.18552 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19280 191.1
[M+Na]+ 397.17474 195.8
[M-H]- 373.17824 196.2
[M+NH4]+ 392.21934 197.5
[M+K]+ 413.14868 188.9
[M+H-H2O]+ 357.18278 177.2
[M+HCOO]- 419.18372 207.1
[M+CH3COO]- 433.19937 198.2
[M+Na-2H]- 395.16019 196.6
[M]+ 374.18497 186.9
[M]- 374.18607 186.9
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.