CID 177847536

(s)-2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-methyl-1h-imidazol-5-yl)propanoic acid

Structural Information

Molecular Formula
C22H21N3O4
SMILES
CC1=NC=C(N1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H21N3O4/c1-13-23-11-14(24-13)10-20(21(26)27)25-22(28)29-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,11,19-20H,10,12H2,1H3,(H,23,24)(H,25,28)(H,26,27)/t20-/m0/s1
InChIKey
SYLDTRHFXKMXHK-FQEVSTJZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1532 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.16048 191.7
[M+Na]+ 414.14242 196.8
[M-H]- 390.14592 195.6
[M+NH4]+ 409.18702 203.7
[M+K]+ 430.11636 192.0
[M+H-H2O]+ 374.15046 183.6
[M+HCOO]- 436.15140 207.9
[M+CH3COO]- 450.16705 218.6
[M+Na-2H]- 412.12787 190.9
[M]+ 391.15265 192.9
[M]- 391.15375 192.9
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.