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 187.4
[M+Na]+ 401.11080 194.8
[M-H]- 377.11430 195.0
[M+NH4]+ 396.15540 201.1
[M+K]+ 417.08474 191.9
[M+H-H2O]+ 361.11884 180.3
[M+HCOO]- 423.11978 207.0
[M+CH3COO]- 437.13543 218.0
[M+Na-2H]- 399.09625 188.4
[M]+ 378.12103 192.6
[M]- 378.12213 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.