CID 3041765

K 9957

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CCN(CC)C1=C(C(=O)C2=C(O1)C=CC3=C2C=C(C=C3)OC)CN4CCOCC4
InChI
InChI=1S/C23H28N2O4/c1-4-25(5-2)23-19(15-24-10-12-28-13-11-24)22(26)21-18-14-17(27-3)8-6-16(18)7-9-20(21)29-23/h6-9,14H,4-5,10-13,15H2,1-3H3
InChIKey
QIPQEJYGVMJCEO-UHFFFAOYSA-N
Compound name
3-(diethylamino)-9-methoxy-2-(morpholin-4-ylmethyl)benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2049 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.212176 198.3
[M+Na]+ 419.194118 205.3
[M-H]- 395.197624 207.4
[M+NH4]+ 414.238723 207.6
[M+K]+ 435.168058 203.7
[M+H-H2O]+ 379.202160 186.9
[M+HCOO]- 441.203101 214.8
[M+CH3COO]- 455.218751 207.8
[M+Na-2H]- 417.179566 202.5
[M]+ 396.20435142 203.7
[M]- 396.20544858 203.7
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.