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

326
Patents

357.1035 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.110776 182.9
[M+Na]+ 380.092718 188.2
[M-H]- 356.096224 186.4
[M+NH4]+ 375.137323 198.8
[M+K]+ 396.066658 184.3
[M+H-H2O]+ 340.100760 176.7
[M+HCOO]- 402.101701 196.9
[M+CH3COO]- 416.117351 212.7
[M+Na-2H]- 378.078166 183.3
[M]+ 357.10295142 187.8
[M]- 357.10404858 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