CID 155822722

2353595-81-8

Structural Information

Molecular Formula
C22H20N2O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCC4=CC(=NO4)C(=O)O
InChI
InChI=1S/C22H20N2O5/c25-21(26)20-12-14(29-24-20)6-5-11-23-22(27)28-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,12,19H,5-6,11,13H2,(H,23,27)(H,25,26)
InChIKey
CMZYXCDZPGPUAK-UHFFFAOYSA-N
Compound name
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1372 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14448 192.6
[M+Na]+ 415.12642 203.1
[M+NH4]+ 410.17102 198.4
[M+K]+ 431.10036 201.3
[M-H]- 391.12992 196.1
[M+Na-2H]- 413.11187 195.6
[M]+ 392.13665 194.8
[M]- 392.13775 194.8
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.