CID 3042866

Slb-882

Structural Information

Molecular Formula
C19H30N2O5
SMILES
CCOC(=O)[C@H](CC1=CC(=C(C=C1)OCCCN2CCOCC2)OC)N
InChI
InChI=1S/C19H30N2O5/c1-3-25-19(22)16(20)13-15-5-6-17(18(14-15)23-2)26-10-4-7-21-8-11-24-12-9-21/h5-6,14,16H,3-4,7-13,20H2,1-2H3/t16-/m0/s1
InChIKey
MFEKCFUGBNFFDU-INIZCTEOSA-N
Compound name
ethyl (2S)-2-amino-3-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.21548 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22276 190.4
[M+Na]+ 389.20470 192.0
[M-H]- 365.20820 194.1
[M+NH4]+ 384.24930 198.9
[M+K]+ 405.17864 191.5
[M+H-H2O]+ 349.21274 180.4
[M+HCOO]- 411.21368 206.1
[M+CH3COO]- 425.22933 218.2
[M+Na-2H]- 387.19015 189.5
[M]+ 366.21493 192.2
[M]- 366.21603 192.2
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.