CID 60202428

Chembl3644121

Structural Information

Molecular Formula
C19H19FN4O
SMILES
C1C[C@H](C[C@@H]1C2=CC=CC=C2F)NC(=O)NC3=CC=CC4=C3C=NN4
InChI
InChI=1S/C19H19FN4O/c20-16-5-2-1-4-14(16)12-8-9-13(10-12)22-19(25)23-17-6-3-7-18-15(17)11-21-24-18/h1-7,11-13H,8-10H2,(H,21,24)(H2,22,23,25)/t12-,13-/m1/s1
InChIKey
MNXPYZUSFURMKS-CHWSQXEVSA-N
Compound name
1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

338.1543 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16158 174.5
[M+Na]+ 361.14352 180.9
[M-H]- 337.14702 180.7
[M+NH4]+ 356.18812 188.3
[M+K]+ 377.11746 174.3
[M+H-H2O]+ 321.15156 164.4
[M+HCOO]- 383.15250 194.9
[M+CH3COO]- 397.16815 184.3
[M+Na-2H]- 359.12897 176.0
[M]+ 338.15375 170.1
[M]- 338.15485 170.1
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