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

78
Patents

397.18893 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.196206 197.2
[M+Na]+ 420.178148 201.0
[M-H]- 396.181654 201.8
[M+NH4]+ 415.222753 211.4
[M+K]+ 436.152088 199.6
[M+H-H2O]+ 380.186190 190.5
[M+HCOO]- 442.187131 213.9
[M+CH3COO]- 456.202781 226.1
[M+Na-2H]- 418.163596 197.7
[M]+ 397.18838142 202.8
[M]- 397.18947858 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