CID 138987577

2305184-99-8

Structural Information

Molecular Formula
C23H25NO4
SMILES
CC(C)(C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C=C
InChI
InChI=1S/C23H25NO4/c1-4-23(2,3)13-20(21(25)26)24-22(27)28-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h4-12,19-20H,1,13-14H2,2-3H3,(H,24,27)(H,25,26)/t20-/m0/s1
InChIKey
SHBLRHRDEWJMSP-FQEVSTJZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-dimethylhex-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 191.2
[M+Na]+ 402.16756 199.7
[M+NH4]+ 397.21216 196.7
[M+K]+ 418.14150 196.5
[M-H]- 378.17106 191.3
[M+Na-2H]- 400.15301 193.0
[M]+ 379.17779 192.1
[M]- 379.17889 192.1
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.