CID 11406357

182120-85-0

Structural Information

Molecular Formula
C20H16N2O4S
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=NC(=CS4)C(=O)O
InChI
InChI=1S/C20H16N2O4S/c23-19(24)17-11-27-18(22-17)9-21-20(25)26-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,11,16H,9-10H2,(H,21,25)(H,23,24)
InChIKey
HAICMYLWDHNVBL-UHFFFAOYSA-N
Compound name
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 186.6
[M+Na]+ 403.07229 197.1
[M+NH4]+ 398.11689 193.7
[M+K]+ 419.04623 192.8
[M-H]- 379.07579 189.4
[M+Na-2H]- 401.05774 190.9
[M]+ 380.08252 189.1
[M]- 380.08362 189.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe