CID 371830

Nsc646346

Structural Information

Molecular Formula
C15H25FN2O
SMILES
CC(C)(C)NC(=O)NC12CC3CC(C1)CC(C3)(C2)F
InChI
InChI=1S/C15H25FN2O/c1-13(2,3)17-12(19)18-15-7-10-4-11(8-15)6-14(16,5-10)9-15/h10-11H,4-9H2,1-3H3,(H2,17,18,19)
InChIKey
YFOLUJOWQNCARG-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-(3-fluoro-1-adamantyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1951 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20238 167.9
[M+Na]+ 291.18432 169.4
[M-H]- 267.18782 161.4
[M+NH4]+ 286.22892 192.6
[M+K]+ 307.15826 166.3
[M+H-H2O]+ 251.19236 161.5
[M+HCOO]- 313.19330 172.7
[M+CH3COO]- 327.20895 208.9
[M+Na-2H]- 289.16977 178.8
[M]+ 268.19455 165.8
[M]- 268.19565 165.8
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.