CID 3070828

1-piperazineacetic acid, 4-piperonyl-, (2-oxo-3-indolinylidene)hydrazide (z)-

Structural Information

Molecular Formula
C22H23N5O4
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)N=NC4=C(NC5=CC=CC=C54)O
InChI
InChI=1S/C22H23N5O4/c28-20(24-25-21-16-3-1-2-4-17(16)23-22(21)29)13-27-9-7-26(8-10-27)12-15-5-6-18-19(11-15)31-14-30-18/h1-6,11,23,29H,7-10,12-14H2
InChIKey
RBAOXBYDMGZMNR-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.17502 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18230 195.1
[M+Na]+ 444.16424 200.5
[M-H]- 420.16774 204.0
[M+NH4]+ 439.20884 202.6
[M+K]+ 460.13818 197.5
[M+H-H2O]+ 404.17228 184.9
[M+HCOO]- 466.17322 210.9
[M+CH3COO]- 480.18887 203.4
[M+Na-2H]- 442.14969 196.6
[M]+ 421.17447 195.8
[M]- 421.17557 195.8
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.