CID 5900211

Methyl 4-[(e)-{2-[(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene}methyl]benzoate

Structural Information

Molecular Formula
C22H26N4O3
SMILES
COC(=O)C1=CC=C(C=C1)/C=N\NC(=O)CN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H26N4O3/c1-29-22(28)20-9-7-18(8-10-20)15-23-24-21(27)17-26-13-11-25(12-14-26)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3,(H,24,27)/b23-15-
InChIKey
RGLLZTKUTNWJGV-HAHDFKILSA-N
Compound name
methyl 4-[(Z)-[[2-(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.2005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.20778 195.4
[M+Na]+ 417.18972 197.1
[M-H]- 393.19322 201.9
[M+NH4]+ 412.23432 202.5
[M+K]+ 433.16366 192.9
[M+H-H2O]+ 377.19776 182.9
[M+HCOO]- 439.19870 214.0
[M+CH3COO]- 453.21435 226.7
[M+Na-2H]- 415.17517 196.9
[M]+ 394.19995 193.0
[M]- 394.20105 193.0
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.