CID 154853081

2445792-63-0

Structural Information

Molecular Formula
C21H18N2O5
SMILES
CC1=C(OC(=N1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H18N2O5/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
XYLZVVSVOOAWBA-UHFFFAOYSA-N
Compound name
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.12158 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12886 188.2
[M+Na]+ 401.11080 199.3
[M+NH4]+ 396.15540 194.1
[M+K]+ 417.08474 197.9
[M-H]- 377.11430 191.7
[M+Na-2H]- 399.09625 191.2
[M]+ 378.12103 190.5
[M]- 378.12213 190.5
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.