CID 361049

Nsc623792

Structural Information

Molecular Formula
C24H26N2O5
SMILES
CCN(CC)CCNC(=O)C1COC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C24H26N2O5/c1-3-26(4-2)12-11-25-24(28)23-15-29-20-10-9-16(13-22(20)31-23)21-14-18(27)17-7-5-6-8-19(17)30-21/h5-10,13-14,23H,3-4,11-12,15H2,1-2H3,(H,25,28)
InChIKey
ZVTOVXADFYRGPX-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-6-(4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.18417 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19145 205.5
[M+Na]+ 445.17339 210.4
[M-H]- 421.17689 216.1
[M+NH4]+ 440.21799 212.9
[M+K]+ 461.14733 210.6
[M+H-H2O]+ 405.18143 194.6
[M+HCOO]- 467.18237 222.4
[M+CH3COO]- 481.19802 236.7
[M+Na-2H]- 443.15884 210.1
[M]+ 422.18362 210.4
[M]- 422.18472 210.4
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.