CID 7010370

N-alpha-(9-fluorenylmethyloxycarbonyl)-n-alpha-methyl-o-t-butyl-l-serine

Structural Information

Molecular Formula
C23H27NO5
SMILES
CC(C)(C)OC[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H27NO5/c1-23(2,3)29-14-20(21(25)26)24(4)22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,13-14H2,1-4H3,(H,25,26)/t20-/m0/s1
InChIKey
PQSAXALAXPNFMG-FQEVSTJZSA-N
Compound name
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

397.18893 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19621 197.2
[M+Na]+ 420.17815 201.0
[M-H]- 396.18165 201.8
[M+NH4]+ 415.22275 211.4
[M+K]+ 436.15209 199.6
[M+H-H2O]+ 380.18619 190.5
[M+HCOO]- 442.18713 213.9
[M+CH3COO]- 456.20278 226.1
[M+Na-2H]- 418.16360 197.7
[M]+ 397.18838 202.8
[M]- 397.18948 202.8
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

patents stripe