CID 165908115

2679858-41-2

Structural Information

Molecular Formula
C21H19N3O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CNC(=O)N4)C(=O)O
InChI
InChI=1S/C21H19N3O5/c25-19(26)18(9-12-10-22-20(27)23-12)24-21(28)29-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,10,17-18H,9,11H2,(H,24,28)(H,25,26)(H2,22,23,27)/t18-/m0/s1
InChIKey
AILXKCISCBPYOZ-SFHVURJKSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.13248 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13976 188.5
[M+Na]+ 416.12170 193.5
[M-H]- 392.12520 191.3
[M+NH4]+ 411.16630 199.6
[M+K]+ 432.09564 188.5
[M+H-H2O]+ 376.12974 180.8
[M+HCOO]- 438.13068 203.9
[M+CH3COO]- 452.14633 215.4
[M+Na-2H]- 414.10715 188.2
[M]+ 393.13193 188.4
[M]- 393.13303 188.4
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.