CID 4837694

859668-98-7

Structural Information

Molecular Formula
C21H21NO6
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)N(C)C)C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C21H21NO6/c1-12-15-8-6-14(27-21(24)22(2)3)11-18(15)28-20(23)19(12)16-10-13(25-4)7-9-17(16)26-5/h6-11H,1-5H3
InChIKey
NHTDUXSQDZDSKQ-UHFFFAOYSA-N
Compound name
[3-(2,5-dimethoxyphenyl)-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

383.1369 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14418 189.2
[M+Na]+ 406.12612 198.4
[M-H]- 382.12962 199.9
[M+NH4]+ 401.17072 201.4
[M+K]+ 422.10006 198.5
[M+H-H2O]+ 366.13416 179.7
[M+HCOO]- 428.13510 211.8
[M+CH3COO]- 442.15075 227.3
[M+Na-2H]- 404.11157 191.9
[M]+ 383.13635 199.2
[M]- 383.13745 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.