CID 266845

(2-aminophenyl)(4,5-dimethoxy-2-methylphenyl)methanone

Structural Information

Molecular Formula
C16H17NO3
SMILES
CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2N)OC)OC
InChI
InChI=1S/C16H17NO3/c1-10-8-14(19-2)15(20-3)9-12(10)16(18)11-6-4-5-7-13(11)17/h4-9H,17H2,1-3H3
InChIKey
ODSYCDBDWFPFDI-UHFFFAOYSA-N
Compound name
(2-aminophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

271.12085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.128126 161.8
[M+Na]+ 294.110068 170.1
[M-H]- 270.113574 168.8
[M+NH4]+ 289.154673 178.0
[M+K]+ 310.084008 167.2
[M+H-H2O]+ 254.118110 154.1
[M+HCOO]- 316.119051 185.7
[M+CH3COO]- 330.134701 203.3
[M+Na-2H]- 292.095516 164.0
[M]+ 271.12030142 164.4
[M]- 271.12139858 164.4
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

patents stripe