CID 6879614

2-(4-benzyl-1-piperazinyl)n'-((9-ethyl-9h-carbazol-3-yl)methylene)acetohydrazide

Structural Information

Molecular Formula
C28H31N5O
SMILES
CCN1C2=C(C=C(C=C2)/C=N/NC(=O)CN3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C51
InChI
InChI=1S/C28H31N5O/c1-2-33-26-11-7-6-10-24(26)25-18-23(12-13-27(25)33)19-29-30-28(34)21-32-16-14-31(15-17-32)20-22-8-4-3-5-9-22/h3-13,18-19H,2,14-17,20-21H2,1H3,(H,30,34)/b29-19+
InChIKey
IDSDSNMAXVLBRH-VUTHCHCSSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.25287 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.26015 211.6
[M+Na]+ 476.24209 215.9
[M-H]- 452.24559 219.1
[M+NH4]+ 471.28669 219.1
[M+K]+ 492.21603 207.7
[M+H-H2O]+ 436.25013 198.0
[M+HCOO]- 498.25107 228.5
[M+CH3COO]- 512.26672 218.1
[M+Na-2H]- 474.22754 213.4
[M]+ 453.25232 210.5
[M]- 453.25342 210.5
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.