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]+ 392.18562 207.8
[M+Na]+ 414.16756 215.0
[M-H]- 390.17106 208.8
[M+NH4]+ 409.21216 219.9
[M+K]+ 430.14150 206.9
[M+H-H2O]+ 374.17560 195.2
[M+HCOO]- 436.17654 218.2
[M+CH3COO]- 450.19219 225.2
[M+Na-2H]- 412.15301 206.0
[M]+ 391.17779 204.1
[M]- 391.17889 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.