CID 2724774

71989-16-7

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

1002
Patents

354.12158 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.128856 180.2
[M+Na]+ 377.110798 184.2
[M-H]- 353.114304 183.3
[M+NH4]+ 372.155403 194.6
[M+K]+ 393.084738 181.6
[M+H-H2O]+ 337.118840 173.2
[M+HCOO]- 399.119781 199.0
[M+CH3COO]- 413.135431 216.6
[M+Na-2H]- 375.096246 180.9
[M]+ 354.12103142 180.8
[M]- 354.12212858 180.8
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