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

9
Patents

320.1637 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.170976 171.1
[M+Na]+ 343.152918 176.5
[M-H]- 319.156424 178.3
[M+NH4]+ 338.197523 185.4
[M+K]+ 359.126858 170.4
[M+H-H2O]+ 303.160960 161.7
[M+HCOO]- 365.161901 192.6
[M+CH3COO]- 379.177551 181.1
[M+Na-2H]- 341.138366 173.9
[M]+ 320.16315142 167.3
[M]- 320.16424858 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