CID 16038368

Trans-aucb

Structural Information

Molecular Formula
C24H32N2O4
SMILES
C1CC(CCC1NC(=O)NC23CC4CC(C2)CC(C4)C3)OC5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
InChIKey
KNBWKJBQDAQARU-UHFFFAOYSA-N
Compound name
4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

84
References

121
Patents

412.2362 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 191.9
[M+Na]+ 435.22542 198.0
[M+NH4]+ 430.27002 202.0
[M+K]+ 451.19936 189.6
[M-H]- 411.22892 192.8
[M+Na-2H]- 433.21087 189.4
[M]+ 412.23565 192.7
[M]- 412.23675 192.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe