CID 59841285

875211-10-2

Structural Information

Molecular Formula
C26H27NO4
SMILES
C1C2CC3(CC1CC(C2)(C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)O
InChI
InChI=1S/C26H27NO4/c28-23(29)25-10-16-9-17(11-25)13-26(12-16,15-25)27-24(30)31-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,16-17,22H,9-15H2,(H,27,30)(H,28,29)
InChIKey
RXRDRSUDCSEVRK-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)adamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

417.194 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.20128 188.1
[M+Na]+ 440.18322 188.0
[M-H]- 416.18672 185.7
[M+NH4]+ 435.22782 208.0
[M+K]+ 456.15716 182.3
[M+H-H2O]+ 400.19126 177.4
[M+HCOO]- 462.19220 189.8
[M+CH3COO]- 476.20785 192.6
[M+Na-2H]- 438.16867 195.0
[M]+ 417.19345 188.6
[M]- 417.19455 188.6
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

patents stripe