CID 9588179

Brn 0824042

Structural Information

Molecular Formula
C18H28N4O
SMILES
CC1=CC(=C(C(=C1C)/C=N/NC(=O)CN2CCN(CC2)C)C)C
InChI
InChI=1S/C18H28N4O/c1-13-10-14(2)16(4)17(15(13)3)11-19-20-18(23)12-22-8-6-21(5)7-9-22/h10-11H,6-9,12H2,1-5H3,(H,20,23)/b19-11+
InChIKey
ZEFZRQUNMPQAPB-YBFXNURJSA-N
Compound name
2-(4-methylpiperazin-1-yl)-N-[(E)-(2,3,5,6-tetramethylphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.22632 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.23360 180.4
[M+Na]+ 339.21554 191.4
[M+NH4]+ 334.26014 186.5
[M+K]+ 355.18948 184.4
[M-H]- 315.21904 184.1
[M+Na-2H]- 337.20099 185.2
[M]+ 316.22577 182.7
[M]- 316.22687 182.7
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.