CID 1217491

2-(4-benzyl-1-piperazinyl)-n'-((5-methyl-2-thienyl)methylene)acetohydrazide

Structural Information

Molecular Formula
C19H24N4OS
SMILES
CC1=CC=C(S1)C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C19H24N4OS/c1-16-7-8-18(25-16)13-20-21-19(24)15-23-11-9-22(10-12-23)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,21,24)
InChIKey
IFEVAPPPBQOISG-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.16708 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.174356 184.6
[M+Na]+ 379.156298 188.6
[M-H]- 355.159804 192.0
[M+NH4]+ 374.200903 196.6
[M+K]+ 395.130238 183.2
[M+H-H2O]+ 339.164340 174.3
[M+HCOO]- 401.165281 200.8
[M+CH3COO]- 415.180931 217.2
[M+Na-2H]- 377.141746 183.5
[M]+ 356.16653142 183.3
[M]- 356.16762858 183.3
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.