CID 377018

Nsc658236

Structural Information

Molecular Formula
C20H20N4O
SMILES
CC(=O)N1C(CCN1C2=CC=CC=C2)NC3=CC4=CC=CC=C4N=C3
InChI
InChI=1S/C20H20N4O/c1-15(25)24-20(11-12-23(24)18-8-3-2-4-9-18)22-17-13-16-7-5-6-10-19(16)21-14-17/h2-10,13-14,20,22H,11-12H2,1H3
InChIKey
LXANJGTUJXRVRZ-UHFFFAOYSA-N
Compound name
1-[2-phenyl-5-(quinolin-3-ylamino)pyrazolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1637 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17098 179.4
[M+Na]+ 355.15292 185.7
[M-H]- 331.15642 185.8
[M+NH4]+ 350.19752 190.9
[M+K]+ 371.12686 179.3
[M+H-H2O]+ 315.16096 168.0
[M+HCOO]- 377.16190 197.1
[M+CH3COO]- 391.17755 188.7
[M+Na-2H]- 353.13837 182.1
[M]+ 332.16315 176.6
[M]- 332.16425 176.6
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.