CID 9885653

Org-25435

Structural Information

Molecular Formula
C19H31NO6
SMILES
CC[C@H](C(=O)OC1=C(C=C(C=C1OC)C)OC)N(CCOC)CCOC
InChI
InChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3/t15-/m1/s1
InChIKey
GKRFHHRXDUACIN-OAHLLOKOSA-N
Compound name
(2,6-dimethoxy-4-methylphenyl) (2R)-2-[bis(2-methoxyethyl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

6
Patents

369.21515 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.22243 189.3
[M+Na]+ 392.20437 193.7
[M-H]- 368.20787 193.6
[M+NH4]+ 387.24897 202.2
[M+K]+ 408.17831 194.9
[M+H-H2O]+ 352.21241 180.9
[M+HCOO]- 414.21335 211.5
[M+CH3COO]- 428.22900 225.6
[M+Na-2H]- 390.18982 187.6
[M]+ 369.21460 201.1
[M]- 369.21570 201.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe