CID 3070820

1-piperazineacetic acid, (2-oxo-3-indolinylidene)hydrazide, dihydrochloride, sesquihydrate, (z)-

Structural Information

Molecular Formula
C14H17N5O2
SMILES
C1CN(CCN1)CC(=O)N=NC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C14H17N5O2/c20-12(9-19-7-5-15-6-8-19)17-18-13-10-3-1-2-4-11(10)16-14(13)21/h1-4,15-16,21H,5-9H2
InChIKey
QNFYDDPHXAPELF-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1382 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14548 163.0
[M+Na]+ 310.12742 168.7
[M-H]- 286.13092 165.2
[M+NH4]+ 305.17202 175.7
[M+K]+ 326.10136 163.8
[M+H-H2O]+ 270.13546 153.3
[M+HCOO]- 332.13640 181.6
[M+CH3COO]- 346.15205 172.5
[M+Na-2H]- 308.11287 168.0
[M]+ 287.13765 158.7
[M]- 287.13875 158.7
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.