CID 371831

Nsc646347

Structural Information

Molecular Formula
C18H23FN2O
SMILES
CC1=CC=C(C=C1)NC(=O)NC23CC4CC(C2)CC(C4)(C3)F
InChI
InChI=1S/C18H23FN2O/c1-12-2-4-15(5-3-12)20-16(22)21-18-9-13-6-14(10-18)8-17(19,7-13)11-18/h2-5,13-14H,6-11H2,1H3,(H2,20,21,22)
InChIKey
OVJGQSDGECULTC-UHFFFAOYSA-N
Compound name
1-(3-fluoro-1-adamantyl)-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.17944 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18672 168.1
[M+Na]+ 325.16866 169.9
[M-H]- 301.17216 164.8
[M+NH4]+ 320.21326 191.1
[M+K]+ 341.14260 165.2
[M+H-H2O]+ 285.17670 158.5
[M+HCOO]- 347.17764 175.0
[M+CH3COO]- 361.19329 175.0
[M+Na-2H]- 323.15411 178.3
[M]+ 302.17889 165.4
[M]- 302.17999 165.4
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.