CID 107433614

942047-38-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.12158 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12886 180.5
[M+Na]+ 377.11080 185.0
[M-H]- 353.11430 185.0
[M+NH4]+ 372.15540 195.6
[M+K]+ 393.08474 183.1
[M+H-H2O]+ 337.11884 173.3
[M+HCOO]- 399.11978 200.9
[M+CH3COO]- 413.13543 218.7
[M+Na-2H]- 375.09625 181.6
[M]+ 354.12103 183.0
[M]- 354.12213 183.0
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.