CID 377002

Nsc658220

Structural Information

Molecular Formula
C17H19N3O
SMILES
CC(=O)N1C(CCN1C2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C17H19N3O/c1-14(21)20-17(18-15-8-4-2-5-9-15)12-13-19(20)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3
InChIKey
AXCZLBGWEYVQRY-UHFFFAOYSA-N
Compound name
1-(5-anilino-2-phenylpyrazolidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 166.1
[M+Na]+ 304.14202 171.5
[M-H]- 280.14552 172.9
[M+NH4]+ 299.18662 180.1
[M+K]+ 320.11596 166.8
[M+H-H2O]+ 264.15006 156.0
[M+HCOO]- 326.15100 186.6
[M+CH3COO]- 340.16665 176.6
[M+Na-2H]- 302.12747 168.2
[M]+ 281.15225 162.7
[M]- 281.15335 162.7
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.