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]+ 393.144476 191.2
[M+Na]+ 415.126418 197.2
[M-H]- 391.129924 198.2
[M+NH4]+ 410.171023 204.0
[M+K]+ 431.100358 194.2
[M+H-H2O]+ 375.134460 183.6
[M+HCOO]- 437.135401 210.4
[M+CH3COO]- 451.151051 219.5
[M+Na-2H]- 413.111866 192.4
[M]+ 392.13665142 196.3
[M]- 392.13774858 196.3
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.