CID 3053534

Brn 1400138

Structural Information

Molecular Formula
C19H22N2O4
SMILES
COC1=C(C=C2C(OCCC2=C1)CNC(=O)NC3=CC=CC=C3)OC
InChI
InChI=1S/C19H22N2O4/c1-23-16-10-13-8-9-25-18(15(13)11-17(16)24-2)12-20-19(22)21-14-6-4-3-5-7-14/h3-7,10-11,18H,8-9,12H2,1-2H3,(H2,20,21,22)
InChIKey
ZNYKIWRNHGWZTA-UHFFFAOYSA-N
Compound name
1-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 181.5
[M+Na]+ 365.14718 193.3
[M+NH4]+ 360.19178 188.6
[M+K]+ 381.12112 186.6
[M-H]- 341.15068 187.8
[M+Na-2H]- 363.13263 187.4
[M]+ 342.15741 184.8
[M]- 342.15851 184.8
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.