CID 46737313

Fmoc-alb-oh

Structural Information

Molecular Formula
C19H19N3O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CNC(=O)N)C(=O)O
InChI
InChI=1S/C19H19N3O5/c20-18(25)21-9-16(17(23)24)22-19(26)27-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,22,26)(H,23,24)(H3,20,21,25)/t16-/m0/s1
InChIKey
XSICSLZBMDMQRC-INIZCTEOSA-N
Compound name
(2S)-3-(carbamoylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

369.13248 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13976 184.4
[M+Na]+ 392.12170 190.3
[M+NH4]+ 387.16630 188.8
[M+K]+ 408.09564 189.1
[M-H]- 368.12520 184.8
[M+Na-2H]- 390.10715 185.3
[M]+ 369.13193 184.5
[M]- 369.13303 184.5
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