CID 121604546

1922779-47-2

Structural Information

Molecular Formula
C21H19N3O5
SMILES
CC1=NON=C1CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H19N3O5/c1-12-18(24-29-23-12)10-19(20(25)26)22-21(27)28-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17,19H,10-11H2,1H3,(H,22,27)(H,25,26)
InChIKey
HJWRMLQQDLSNPV-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methyl-1,2,5-oxadiazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.13248 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13976 190.7
[M+Na]+ 416.12170 196.6
[M-H]- 392.12520 196.7
[M+NH4]+ 411.16630 201.9
[M+K]+ 432.09564 194.3
[M+H-H2O]+ 376.12974 182.6
[M+HCOO]- 438.13068 207.9
[M+CH3COO]- 452.14633 220.3
[M+Na-2H]- 414.10715 191.2
[M]+ 393.13193 195.3
[M]- 393.13303 195.3
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.