CID 45489833

288617-73-2

Structural Information

Molecular Formula
C23H25NO4
SMILES
C[C@](CCCC=C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H25NO4/c1-3-4-9-14-23(2,21(25)26)24-22(27)28-15-20-18-12-7-5-10-16(18)17-11-6-8-13-19(17)20/h3,5-8,10-13,20H,1,4,9,14-15H2,2H3,(H,24,27)(H,25,26)/t23-/m0/s1
InChIKey
MRJFPZWLOJOINV-QHCPKHFHSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhept-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

379.17834 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 193.5
[M+Na]+ 402.16756 198.0
[M-H]- 378.17106 196.7
[M+NH4]+ 397.21216 207.9
[M+K]+ 418.14150 193.1
[M+H-H2O]+ 362.17560 186.8
[M+HCOO]- 424.17654 210.8
[M+CH3COO]- 438.19219 219.7
[M+Na-2H]- 400.15301 195.6
[M]+ 379.17779 196.5
[M]- 379.17889 196.5
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