CID 6976353

(2s)-2-cyclohexyl-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid

Structural Information

Molecular Formula
C23H25NO4
SMILES
C1CCC(CC1)[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO4/c25-22(26)21(15-8-2-1-3-9-15)24-23(27)28-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h4-7,10-13,15,20-21H,1-3,8-9,14H2,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKey
BWQQGHPODCJZDB-NRFANRHFSA-N
Compound name
(2S)-2-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

379.17834 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 189.0
[M+Na]+ 402.16756 190.6
[M-H]- 378.17106 194.4
[M+NH4]+ 397.21216 202.4
[M+K]+ 418.14150 186.4
[M+H-H2O]+ 362.17560 181.0
[M+HCOO]- 424.17654 203.7
[M+CH3COO]- 438.19219 218.4
[M+Na-2H]- 400.15301 188.3
[M]+ 379.17779 185.6
[M]- 379.17889 185.6
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