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]+ 390.10060 188.3
[M+Na]+ 412.08254 193.8
[M-H]- 388.08604 191.9
[M+NH4]+ 407.12714 202.6
[M+K]+ 428.05648 190.8
[M+H-H2O]+ 372.09058 182.7
[M+HCOO]- 434.09152 201.4
[M+CH3COO]- 448.10717 216.2
[M+Na-2H]- 410.06799 190.7
[M]+ 389.09277 194.2
[M]- 389.09387 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