CID 688633

(2r)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)propanoic acid

Structural Information

Molecular Formula
C19H19NO4
SMILES
C[C@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C19H19NO4/c1-12(18(21)22)20(2)19(23)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17H,11H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKey
JOFHWKQIQLPZTC-GFCCVEGCSA-N
Compound name
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

325.1314 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 176.3
[M+Na]+ 348.120618 181.7
[M-H]- 324.124124 181.4
[M+NH4]+ 343.165223 193.4
[M+K]+ 364.094558 179.6
[M+H-H2O]+ 308.128660 169.5
[M+HCOO]- 370.129601 195.9
[M+CH3COO]- 384.145251 212.5
[M+Na-2H]- 346.106066 177.3
[M]+ 325.13085142 179.6
[M]- 325.13194858 179.6
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

patents stripe