CID 2724774

Fmoc-asn-oh

Structural Information

Molecular Formula
C19H18N2O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)N)C(=O)O
InChI
InChI=1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)/t16-/m0/s1
InChIKey
YUGBZNJSGOBFOV-INIZCTEOSA-N
Compound name
(2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

820
Patents

354.12158 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12886 180.9
[M+Na]+ 377.11080 188.1
[M+NH4]+ 372.15540 185.9
[M+K]+ 393.08474 186.5
[M-H]- 353.11430 181.1
[M+Na-2H]- 375.09625 182.1
[M]+ 354.12103 181.3
[M]- 354.12213 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe