CID 3070824

1-piperazineacetic acid, 4-methyl-, (5-chloro-2-oxo-3-indolinylidene)hydrazide, dihydrochloride, hydrate, (z)-

Structural Information

Molecular Formula
C15H18ClN5O2
SMILES
CN1CCN(CC1)CC(=O)N=NC2=C(NC3=C2C=C(C=C3)Cl)O
InChI
InChI=1S/C15H18ClN5O2/c1-20-4-6-21(7-5-20)9-13(22)18-19-14-11-8-10(16)2-3-12(11)17-15(14)23/h2-3,8,17,23H,4-7,9H2,1H3
InChIKey
CHWHBBICMXEYQU-UHFFFAOYSA-N
Compound name
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1149 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12218 176.8
[M+Na]+ 358.10412 184.9
[M-H]- 334.10762 180.5
[M+NH4]+ 353.14872 189.6
[M+K]+ 374.07806 179.1
[M+H-H2O]+ 318.11216 167.4
[M+HCOO]- 380.11310 191.7
[M+CH3COO]- 394.12875 212.0
[M+Na-2H]- 356.08957 179.3
[M]+ 335.11435 177.5
[M]- 335.11545 177.5
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.