CID 210658

Poli 95

Structural Information

Molecular Formula
C21H27N3O
SMILES
C1CCCN(CC1)CCC(=O)C2=NN(C3=C2CCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H27N3O/c25-20(13-16-23-14-6-1-2-7-15-23)21-18-11-8-12-19(18)24(22-21)17-9-4-3-5-10-17/h3-5,9-10H,1-2,6-8,11-16H2
InChIKey
RUAMPFICKAACQE-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 185.5
[M+Na]+ 360.20464 194.3
[M+NH4]+ 355.24924 192.1
[M+K]+ 376.17858 191.6
[M-H]- 336.20814 188.7
[M+Na-2H]- 358.19009 190.2
[M]+ 337.21487 187.5
[M]- 337.21597 187.5
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.