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]+ 379.128856 187.4
[M+Na]+ 401.110798 194.8
[M-H]- 377.114304 195.0
[M+NH4]+ 396.155403 201.1
[M+K]+ 417.084738 191.9
[M+H-H2O]+ 361.118840 180.3
[M+HCOO]- 423.119781 207.0
[M+CH3COO]- 437.135431 218.0
[M+Na-2H]- 399.096246 188.4
[M]+ 378.12103142 192.6
[M]- 378.12212858 192.6
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.