CID 3058398

Brn 2877982

Structural Information

Molecular Formula
C16H17NO4
SMILES
COC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2)OC)N)OC
InChI
InChI=1S/C16H17NO4/c1-19-11-5-6-12(15(9-11)21-3)16(18)10-4-7-14(20-2)13(17)8-10/h4-9H,17H2,1-3H3
InChIKey
XBFWDRQYDWBARL-UHFFFAOYSA-N
Compound name
(3-amino-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.11575 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.123026 164.8
[M+Na]+ 310.104968 172.9
[M-H]- 286.108474 171.8
[M+NH4]+ 305.149573 180.2
[M+K]+ 326.078908 170.7
[M+H-H2O]+ 270.113010 156.8
[M+HCOO]- 332.113951 188.8
[M+CH3COO]- 346.129601 205.5
[M+Na-2H]- 308.090416 167.1
[M]+ 287.11520142 168.8
[M]- 287.11629858 168.8
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.