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

237
Patents

390.25186 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.259136 200.0
[M+Na]+ 413.241078 205.2
[M-H]- 389.244584 207.0
[M+NH4]+ 408.285683 212.3
[M+K]+ 429.215018 205.1
[M+H-H2O]+ 373.249120 190.4
[M+HCOO]- 435.250061 222.8
[M+CH3COO]- 449.265711 236.7
[M+Na-2H]- 411.226526 201.5
[M]+ 390.25131142 211.3
[M]- 390.25240858 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.