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]+ 395.10600 192.4
[M+Na]+ 417.08794 200.3
[M-H]- 393.09144 199.3
[M+NH4]+ 412.13254 207.7
[M+K]+ 433.06188 195.5
[M+H-H2O]+ 377.09598 186.2
[M+HCOO]- 439.09692 208.0
[M+CH3COO]- 453.11257 202.4
[M+Na-2H]- 415.07339 191.3
[M]+ 394.09817 198.6
[M]- 394.09927 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.