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 179.8
[M+Na]+ 365.14718 184.4
[M-H]- 341.15068 187.3
[M+NH4]+ 360.19178 192.0
[M+K]+ 381.12112 182.6
[M+H-H2O]+ 325.15522 170.5
[M+HCOO]- 387.15616 200.4
[M+CH3COO]- 401.17181 216.4
[M+Na-2H]- 363.13263 184.9
[M]+ 342.15741 181.1
[M]- 342.15851 181.1
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.