CID 18723909

(2r)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3-methanesulfonylpropanoic acid

Structural Information

Molecular Formula
C19H19NO6S
SMILES
CS(=O)(=O)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C19H19NO6S/c1-27(24,25)11-17(18(21)22)20-19(23)26-10-16-14-8-4-2-6-12(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
SGRFSKFFNRFQMF-KRWDZBQOSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylsulfonylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

389.09332 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.100596 188.3
[M+Na]+ 412.082538 193.8
[M-H]- 388.086044 191.9
[M+NH4]+ 407.127143 202.6
[M+K]+ 428.056478 190.8
[M+H-H2O]+ 372.090580 182.7
[M+HCOO]- 434.091521 201.4
[M+CH3COO]- 448.107171 216.2
[M+Na-2H]- 410.067986 190.7
[M]+ 389.09277142 194.2
[M]- 389.09386858 194.2
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