CID 138987577

(2s)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-4,4-dimethylhex-5-enoic acid

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 193.4
[M+Na]+ 402.16756 197.6
[M-H]- 378.17106 196.6
[M+NH4]+ 397.21216 207.7
[M+K]+ 418.14150 193.3
[M+H-H2O]+ 362.17560 186.9
[M+HCOO]- 424.17654 209.7
[M+CH3COO]- 438.19219 220.6
[M+Na-2H]- 400.15301 194.4
[M]+ 379.17779 195.8
[M]- 379.17889 195.8
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.