CID 103694709

1379844-17-3

Structural Information

Molecular Formula
C22H20N2O4S
SMILES
CC1=CSC(=N1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H20N2O4S/c1-13-12-29-20(23-13)10-19(21(25)26)24-22(27)28-11-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,12,18-19H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKey
USYDGGCBXOHSGH-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.11438 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12166 196.6
[M+Na]+ 431.10360 202.8
[M-H]- 407.10710 203.1
[M+NH4]+ 426.14820 211.0
[M+K]+ 447.07754 198.5
[M+H-H2O]+ 391.11164 190.3
[M+HCOO]- 453.11258 211.0
[M+CH3COO]- 467.12823 205.8
[M+Na-2H]- 429.08905 194.8
[M]+ 408.11383 202.2
[M]- 408.11493 202.2
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

No patent data available for this compound.