CID 3041761

Brn 1184396

Structural Information

Molecular Formula
C25H30N2O5
SMILES
CCN(CC)C1=C(C(=O)C2=C(O1)C=CC3=C2C=CC(=C3)C(=O)OCC)CN4CCOCC4
InChI
InChI=1S/C25H30N2O5/c1-4-27(5-2)24-20(16-26-11-13-30-14-12-26)23(28)22-19-9-7-18(25(29)31-6-3)15-17(19)8-10-21(22)32-24/h7-10,15H,4-6,11-14,16H2,1-3H3
InChIKey
KAZHVMSIDMVRKC-UHFFFAOYSA-N
Compound name
ethyl 3-(diethylamino)-2-(morpholin-4-ylmethyl)-1-oxobenzo[f]chromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.21548 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.222756 209.1
[M+Na]+ 461.204698 214.9
[M-H]- 437.208204 217.9
[M+NH4]+ 456.249303 216.3
[M+K]+ 477.178638 213.7
[M+H-H2O]+ 421.212740 197.5
[M+HCOO]- 483.213681 224.2
[M+CH3COO]- 497.229331 237.9
[M+Na-2H]- 459.190146 211.4
[M]+ 438.21493142 215.2
[M]- 438.21602858 215.2
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.