CID 1034069

2(4-benzyl-1-piperazinyl)n'-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)acetohydrazide

Structural Information

Molecular Formula
C21H23N5O2
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(=O)N=NC3=C(NC4=CC=CC=C43)O
InChI
InChI=1S/C21H23N5O2/c27-19(23-24-20-17-8-4-5-9-18(17)22-21(20)28)15-26-12-10-25(11-13-26)14-16-6-2-1-3-7-16/h1-9,22,28H,10-15H2
InChIKey
REUZGBAVPYQCEW-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

377.18518 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.192456 187.8
[M+Na]+ 400.174398 192.7
[M-H]- 376.177904 194.0
[M+NH4]+ 395.219003 197.0
[M+K]+ 416.148338 186.5
[M+H-H2O]+ 360.182440 176.0
[M+HCOO]- 422.183381 206.5
[M+CH3COO]- 436.199031 196.0
[M+Na-2H]- 398.159846 191.1
[M]+ 377.18463142 185.3
[M]- 377.18572858 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.