CID 7019817

200335-41-7

Structural Information

Molecular Formula
C19H18N2O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)O)C(=O)N
InChI
InChI=1S/C19H18N2O5/c20-18(24)16(9-17(22)23)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,(H2,20,24)(H,21,25)(H,22,23)/t16-/m1/s1
InChIKey
VHRMWRHTRSQVJJ-MRXNPFEDSA-N
Compound name
(3R)-4-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 180.2
[M+Na]+ 377.11080 184.2
[M-H]- 353.11430 183.3
[M+NH4]+ 372.15540 194.6
[M+K]+ 393.08474 181.6
[M+H-H2O]+ 337.11884 173.2
[M+HCOO]- 399.11978 199.0
[M+CH3COO]- 413.13543 216.6
[M+Na-2H]- 375.09625 180.9
[M]+ 354.12103 180.8
[M]- 354.12213 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.