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]+ 357.17436 184.6
[M+Na]+ 379.15630 188.6
[M-H]- 355.15980 192.0
[M+NH4]+ 374.20090 196.6
[M+K]+ 395.13024 183.2
[M+H-H2O]+ 339.16434 174.3
[M+HCOO]- 401.16528 200.8
[M+CH3COO]- 415.18093 217.2
[M+Na-2H]- 377.14175 183.5
[M]+ 356.16653 183.3
[M]- 356.16763 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.