CID 7010692

252049-16-4

Structural Information

Molecular Formula
C22H21N3O4
SMILES
CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H21N3O4/c1-25-13-23-11-14(25)10-20(21(26)27)24-22(28)29-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,11,13,19-20H,10,12H2,1H3,(H,24,28)(H,26,27)/t20-/m0/s1
InChIKey
UEDYXEZHNPXCFB-FQEVSTJZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

391.1532 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.160476 192.2
[M+Na]+ 414.142418 197.7
[M-H]- 390.145924 197.3
[M+NH4]+ 409.187023 204.9
[M+K]+ 430.116358 193.6
[M+H-H2O]+ 374.150460 183.7
[M+HCOO]- 436.151401 209.9
[M+CH3COO]- 450.167051 220.7
[M+Na-2H]- 412.127866 191.6
[M]+ 391.15265142 195.2
[M]- 391.15374858 195.2
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

patents stripe