CID 46737313

1192601-91-4

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 181.9
[M+Na]+ 392.12170 185.0
[M-H]- 368.12520 185.0
[M+NH4]+ 387.16630 195.3
[M+K]+ 408.09564 182.8
[M+H-H2O]+ 352.12974 174.6
[M+HCOO]- 414.13068 201.7
[M+CH3COO]- 428.14633 221.5
[M+Na-2H]- 390.10715 183.4
[M]+ 369.13193 181.8
[M]- 369.13303 181.8
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