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

160
Patents

325.1314 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 176.3
[M+Na]+ 348.12062 181.7
[M-H]- 324.12412 181.4
[M+NH4]+ 343.16522 193.4
[M+K]+ 364.09456 179.6
[M+H-H2O]+ 308.12866 169.5
[M+HCOO]- 370.12960 195.9
[M+CH3COO]- 384.14525 212.5
[M+Na-2H]- 346.10607 177.3
[M]+ 325.13085 179.6
[M]- 325.13195 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