CID 165984129

2763741-12-2

Structural Information

Molecular Formula
C24H25NO4
SMILES
CC(C)(C)C#CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H25NO4/c1-24(2,3)14-8-13-21(22(26)27)25-23(28)29-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,13,15H2,1-3H3,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKey
XODIOGVIIYLJGJ-NRFANRHFSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6,6-dimethylhept-4-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17834 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.185616 207.8
[M+Na]+ 414.167558 215.0
[M-H]- 390.171064 208.8
[M+NH4]+ 409.212163 219.9
[M+K]+ 430.141498 206.9
[M+H-H2O]+ 374.175600 195.2
[M+HCOO]- 436.176541 218.2
[M+CH3COO]- 450.192191 225.2
[M+Na-2H]- 412.153006 206.0
[M]+ 391.17779142 204.1
[M]- 391.17888858 204.1
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.