CID 2828986

(4-aminophenyl)(3,4-dimethylphenyl)methanone

Structural Information

Molecular Formula
C15H15NO
SMILES
CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C15H15NO/c1-10-3-4-13(9-11(10)2)15(17)12-5-7-14(16)8-6-12/h3-9H,16H2,1-2H3
InChIKey
YDKUTIXKMCAGFZ-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-(3,4-dimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11537 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 150.8
[M+Na]+ 248.10459 159.0
[M-H]- 224.10809 157.7
[M+NH4]+ 243.14919 168.8
[M+K]+ 264.07853 155.0
[M+H-H2O]+ 208.11263 143.7
[M+HCOO]- 270.11357 174.7
[M+CH3COO]- 284.12922 194.8
[M+Na-2H]- 246.09004 154.3
[M]+ 225.11482 149.9
[M]- 225.11592 149.9
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.