CID 7019705

138021-87-1

Structural Information

Molecular Formula
C19H19NO4S
SMILES
CSC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C19H19NO4S/c1-25-11-17(18(21)22)20-19(23)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKey
SKNJDZVHMNQAGO-KRWDZBQOSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylsulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
Patents

357.1035 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11078 182.9
[M+Na]+ 380.09272 188.2
[M-H]- 356.09622 186.4
[M+NH4]+ 375.13732 198.8
[M+K]+ 396.06666 184.3
[M+H-H2O]+ 340.10076 176.7
[M+HCOO]- 402.10170 196.9
[M+CH3COO]- 416.11735 212.7
[M+Na-2H]- 378.07817 183.3
[M]+ 357.10295 187.8
[M]- 357.10405 187.8
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