CID 978328

(2s)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-3-methylbutanoic acid

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC(C)[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO4/c1-13(2)19(20(23)24)22(3)21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,23,24)/t19-/m0/s1
InChIKey
YCXXXPZNQXXRIG-IBGZPJMESA-N
Compound name
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

489
Patents

353.16272 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 185.7
[M+Na]+ 376.15194 189.9
[M-H]- 352.15544 190.5
[M+NH4]+ 371.19654 201.6
[M+K]+ 392.12588 188.0
[M+H-H2O]+ 336.15998 178.8
[M+HCOO]- 398.16092 203.5
[M+CH3COO]- 412.17657 219.3
[M+Na-2H]- 374.13739 184.5
[M]+ 353.16217 189.1
[M]- 353.16327 189.1
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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