CID 132344118

2137710-89-3

Structural Information

Molecular Formula
C21H18N2O4S
SMILES
CC1=C(N=C(S1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H18N2O4S/c1-12-19(20(24)25)23-18(28-12)10-22-21(26)27-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-11H2,1H3,(H,22,26)(H,24,25)
InChIKey
JFBNATXZJCPQOF-UHFFFAOYSA-N
Compound name
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.09872 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10600 191.5
[M+Na]+ 417.08794 202.1
[M+NH4]+ 412.13254 198.4
[M+K]+ 433.06188 197.7
[M-H]- 393.09144 194.3
[M+Na-2H]- 415.07339 195.2
[M]+ 394.09817 194.0
[M]- 394.09927 194.0
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.