CID 27190

Oxamarin

Structural Information

Molecular Formula
C22H34N2O4
SMILES
CCN(CC)CCOC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCCN(CC)CC
InChI
InChI=1S/C22H34N2O4/c1-6-23(7-2)10-12-26-20-15-18-17(5)14-22(25)28-19(18)16-21(20)27-13-11-24(8-3)9-4/h14-16H,6-13H2,1-5H3
InChIKey
KDZPIXVLPYVHDO-UHFFFAOYSA-N
Compound name
6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

390.25186 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.25914 200.0
[M+Na]+ 413.24108 205.2
[M-H]- 389.24458 207.0
[M+NH4]+ 408.28568 212.3
[M+K]+ 429.21502 205.1
[M+H-H2O]+ 373.24912 190.4
[M+HCOO]- 435.25006 222.8
[M+CH3COO]- 449.26571 236.7
[M+Na-2H]- 411.22653 201.5
[M]+ 390.25131 211.3
[M]- 390.25241 211.3
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.