CID 511445

1-(3-fluorophenyl)-3-[3-(4-oxo-2,3-diazaspiro[4.5]dec-1-en-1-yl)phenyl]urea

Structural Information

Molecular Formula
C21H21FN4O2
SMILES
C1CCC2(CC1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C21H21FN4O2/c22-15-7-5-9-17(13-15)24-20(28)23-16-8-4-6-14(12-16)18-21(19(27)26-25-18)10-2-1-3-11-21/h4-9,12-13H,1-3,10-11H2,(H,26,27)(H2,23,24,28)
InChIKey
HYPFLXLDUKFLKI-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-3-[3-(4-oxo-2,3-diazaspiro[4.5]dec-1-en-1-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.16486 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17214 187.7
[M+Na]+ 403.15408 192.2
[M-H]- 379.15758 193.8
[M+NH4]+ 398.19868 198.7
[M+K]+ 419.12802 185.4
[M+H-H2O]+ 363.16212 176.1
[M+HCOO]- 425.16306 204.1
[M+CH3COO]- 439.17871 195.4
[M+Na-2H]- 401.13953 189.0
[M]+ 380.16431 179.1
[M]- 380.16541 179.1
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

No patent data available for this compound.