CID 291302

Nsc156319

Structural Information

Molecular Formula
C21H21NO5
SMILES
COC1=C(C=C(C=C1)CCN2CC3=C(C=CC4=C3OC(=O)C=C4)OC2)OC
InChI
InChI=1S/C21H21NO5/c1-24-18-6-3-14(11-19(18)25-2)9-10-22-12-16-17(26-13-22)7-4-15-5-8-20(23)27-21(15)16/h3-8,11H,9-10,12-13H2,1-2H3
InChIKey
WPBXJNNEXGBFMS-UHFFFAOYSA-N
Compound name
9-[2-(3,4-dimethoxyphenyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 186.9
[M+Na]+ 390.13119 195.4
[M-H]- 366.13469 195.2
[M+NH4]+ 385.17579 197.0
[M+K]+ 406.10513 193.7
[M+H-H2O]+ 350.13923 176.2
[M+HCOO]- 412.14017 202.9
[M+CH3COO]- 426.15582 197.3
[M+Na-2H]- 388.11664 192.6
[M]+ 367.14142 192.6
[M]- 367.14252 192.6
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.