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 171.1
[M+Na]+ 343.15292 176.5
[M-H]- 319.15642 178.3
[M+NH4]+ 338.19752 185.4
[M+K]+ 359.12686 170.4
[M+H-H2O]+ 303.16096 161.7
[M+HCOO]- 365.16190 192.6
[M+CH3COO]- 379.17755 181.1
[M+Na-2H]- 341.13837 173.9
[M]+ 320.16315 167.3
[M]- 320.16425 167.3
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