CID 63630335

1340415-08-8

Structural Information

Molecular Formula
C21H18N2O4S
SMILES
CC1=C(SC(=N1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H18N2O4S/c1-12-19(20(24)25)28-18(23-12)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
GEAOLCDOCHBCNU-UHFFFAOYSA-N
Compound name
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-methyl-1,3-thiazole-5-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]+ 395.105996 192.4
[M+Na]+ 417.087938 200.3
[M-H]- 393.091444 199.3
[M+NH4]+ 412.132543 207.7
[M+K]+ 433.061878 195.5
[M+H-H2O]+ 377.095980 186.2
[M+HCOO]- 439.096921 208.0
[M+CH3COO]- 453.112571 202.4
[M+Na-2H]- 415.073386 191.3
[M]+ 394.09817142 198.6
[M]- 394.09926858 198.6
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.