CID 348708

Nsc408162

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CCN(CC)C1=C(C=C2C(=CC(=O)OC2=C1)C)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H22N2O3/c1-4-23(5-2)18-13-19-16(14(3)11-20(24)26-19)12-17(18)22-21(25)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H,22,25)
InChIKey
ZJQQEMYVOKBKTG-UHFFFAOYSA-N
Compound name
N-[7-(diethylamino)-4-methyl-2-oxochromen-6-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 185.4
[M+Na]+ 373.15228 192.4
[M-H]- 349.15578 195.1
[M+NH4]+ 368.19688 198.2
[M+K]+ 389.12622 190.0
[M+H-H2O]+ 333.16032 175.8
[M+HCOO]- 395.16126 208.5
[M+CH3COO]- 409.17691 223.9
[M+Na-2H]- 371.13773 189.4
[M]+ 350.16251 189.7
[M]- 350.16361 189.7
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.