CID 9588177

Brn 0820906

Structural Information

Molecular Formula
C17H26N4O
SMILES
CC1=CC(=C(C(=C1)C)/C=N/NC(=O)CN2CCN(CC2)C)C
InChI
InChI=1S/C17H26N4O/c1-13-9-14(2)16(15(3)10-13)11-18-19-17(22)12-21-7-5-20(4)6-8-21/h9-11H,5-8,12H2,1-4H3,(H,19,22)/b18-11+
InChIKey
PQISMEDBAGJRDA-WOJGMQOQSA-N
Compound name
2-(4-methylpiperazin-1-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.21066 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.21794 176.3
[M+Na]+ 325.19988 181.4
[M-H]- 301.20338 181.0
[M+NH4]+ 320.24448 189.1
[M+K]+ 341.17382 177.7
[M+H-H2O]+ 285.20792 166.4
[M+HCOO]- 347.20886 195.8
[M+CH3COO]- 361.22451 214.5
[M+Na-2H]- 323.18533 177.1
[M]+ 302.21011 174.4
[M]- 302.21121 174.4
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.