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]+ 355.128856 180.5
[M+Na]+ 377.110798 185.0
[M-H]- 353.114304 185.0
[M+NH4]+ 372.155403 195.6
[M+K]+ 393.084738 183.1
[M+H-H2O]+ 337.118840 173.3
[M+HCOO]- 399.119781 200.9
[M+CH3COO]- 413.135431 218.7
[M+Na-2H]- 375.096246 181.6
[M]+ 354.12103142 183.0
[M]- 354.12212858 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.