CID 371833

Nsc646349

Structural Information

Molecular Formula
C18H23FN2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC23CC4CC(C2)CC(C4)(C3)F
InChI
InChI=1S/C18H23FN2O3S/c1-12-2-4-15(5-3-12)25(23,24)21-16(22)20-18-9-13-6-14(10-18)8-17(19,7-13)11-18/h2-5,13-14H,6-11H2,1H3,(H2,20,21,22)
InChIKey
LDNKPWXUUQRYFH-UHFFFAOYSA-N
Compound name
1-(3-fluoro-1-adamantyl)-3-(4-methylphenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.14133 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14861 178.8
[M+Na]+ 389.13055 180.4
[M-H]- 365.13405 174.3
[M+NH4]+ 384.17515 199.4
[M+K]+ 405.10449 177.3
[M+H-H2O]+ 349.13859 171.5
[M+HCOO]- 411.13953 180.0
[M+CH3COO]- 425.15518 184.8
[M+Na-2H]- 387.11600 191.6
[M]+ 366.14078 180.8
[M]- 366.14188 180.8
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.