CID 2761527

(3s)-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-5-methylhexanoic acid

Structural Information

Molecular Formula
C22H25NO4
SMILES
CC(C)C[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-14(2)11-15(12-21(24)25)23-22(26)27-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKey
YLVSABQQLLRFIJ-HNNXBMFYSA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

367.17834 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 190.3
[M+Na]+ 390.16756 193.9
[M-H]- 366.17106 193.4
[M+NH4]+ 385.21216 205.0
[M+K]+ 406.14150 190.4
[M+H-H2O]+ 350.17560 183.2
[M+HCOO]- 412.17654 207.3
[M+CH3COO]- 426.19219 218.9
[M+Na-2H]- 388.15301 189.3
[M]+ 367.17779 192.8
[M]- 367.17889 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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