CID 24776894

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

Structural Information

Molecular Formula
C20H21N5OS
SMILES
CN1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)N/N=C/C4=CC=CS4
InChI
InChI=1S/C20H21N5OS/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
IXUDKYNDAWDEPL-KGENOOAVSA-N
Compound name
(4-methylpiperazin-1-yl)-[2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.15395 187.5
[M+Na]+ 402.13589 194.5
[M-H]- 378.13939 195.3
[M+NH4]+ 397.18049 198.4
[M+K]+ 418.10983 187.8
[M+H-H2O]+ 362.14393 176.9
[M+HCOO]- 424.14487 203.3
[M+CH3COO]- 438.16052 196.6
[M+Na-2H]- 400.12134 189.5
[M]+ 379.14612 187.8
[M]- 379.14722 187.8
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.