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 181.0
[M+Na]+ 339.21554 186.6
[M-H]- 315.21904 185.9
[M+NH4]+ 334.26014 193.5
[M+K]+ 355.18948 182.7
[M+H-H2O]+ 299.22358 171.2
[M+HCOO]- 361.22452 200.1
[M+CH3COO]- 375.24017 218.8
[M+Na-2H]- 337.20099 180.5
[M]+ 316.22577 179.9
[M]- 316.22687 179.9
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.