CID 66551085

Pmid25666693-compound-7

Structural Information

Molecular Formula
C19H20N4O
SMILES
C1C[C@@H](C[C@H]1C2=CC=CC=C2)NC(=O)NC3=CC=CC4=C3C=NN4
InChI
InChI=1S/C19H20N4O/c24-19(22-17-7-4-8-18-16(17)12-20-23-18)21-15-10-9-14(11-15)13-5-2-1-3-6-13/h1-8,12,14-15H,9-11H2,(H,20,23)(H2,21,22,24)/t14-,15-/m0/s1
InChIKey
JSEHDPNFIUYQLO-GJZGRUSLSA-N
Compound name
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

320.1637 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 175.5
[M+Na]+ 343.15292 186.8
[M+NH4]+ 338.19752 183.1
[M+K]+ 359.12686 183.3
[M-H]- 319.15642 180.9
[M+Na-2H]- 341.13837 183.4
[M]+ 320.16315 178.4
[M]- 320.16425 178.4
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

patents stripe