CID 3070816

1-pyrrolidineacetic acid, (2-oxo-3-indolinylidene)hydrazide, hydrochloride, (z)-

Structural Information

Molecular Formula
C14H16N4O2
SMILES
C1CCN(C1)CC(=O)N=NC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C14H16N4O2/c19-12(9-18-7-3-4-8-18)16-17-13-10-5-1-2-6-11(10)15-14(13)20/h1-2,5-6,15,20H,3-4,7-9H2
InChIKey
HMPHXJPFEGJQES-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

272.12732 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13460 159.1
[M+Na]+ 295.11654 166.0
[M-H]- 271.12004 164.7
[M+NH4]+ 290.16114 176.5
[M+K]+ 311.09048 162.4
[M+H-H2O]+ 255.12458 150.6
[M+HCOO]- 317.12552 182.8
[M+CH3COO]- 331.14117 199.7
[M+Na-2H]- 293.10199 162.7
[M]+ 272.12677 158.4
[M]- 272.12787 158.4
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

patents stripe