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]+ 272.12813 161.8
[M+Na]+ 294.11007 170.1
[M-H]- 270.11357 168.8
[M+NH4]+ 289.15467 178.0
[M+K]+ 310.08401 167.2
[M+H-H2O]+ 254.11811 154.1
[M+HCOO]- 316.11905 185.7
[M+CH3COO]- 330.13470 203.3
[M+Na-2H]- 292.09552 164.0
[M]+ 271.12030 164.4
[M]- 271.12140 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