CID 103694687

1379862-69-7

Structural Information

Molecular Formula
C21H18N2O4S
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=NC=CS4)C(=O)O
InChI
InChI=1S/C21H18N2O4S/c24-20(25)18(11-19-22-9-10-28-19)23-21(26)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17-18H,11-12H2,(H,23,26)(H,24,25)
InChIKey
HBHYBVLFMJXMIX-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1,3-thiazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.09872 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10600 189.7
[M+Na]+ 417.08794 199.2
[M+NH4]+ 412.13254 196.5
[M+K]+ 433.06188 195.4
[M-H]- 393.09144 192.2
[M+Na-2H]- 415.07339 193.8
[M]+ 394.09817 191.9
[M]- 394.09927 191.9
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

No patent data available for this compound.