CID 165479264

2137636-91-8

Structural Information

Molecular Formula
C20H16N2O4S
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=NC=C(S4)C(=O)O
InChI
InChI=1S/C20H16N2O4S/c23-19(24)17-9-21-18(27-17)10-22-20(25)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-9,16H,10-11H2,(H,22,25)(H,23,24)
InChIKey
YDIOWPMRGUIBSR-UHFFFAOYSA-N
Compound name
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.08307 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.09035 187.4
[M+Na]+ 403.07229 195.0
[M-H]- 379.07579 194.2
[M+NH4]+ 398.11689 203.0
[M+K]+ 419.04623 190.4
[M+H-H2O]+ 363.08033 181.2
[M+HCOO]- 425.08127 203.5
[M+CH3COO]- 439.09692 197.6
[M+Na-2H]- 401.05774 187.5
[M]+ 380.08252 192.9
[M]- 380.08362 192.9
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.