CID 7031

Michler's ketone

Structural Information

Molecular Formula
C17H20N2O
SMILES
CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
InChIKey
VVBLNCFGVYUYGU-UHFFFAOYSA-N
Compound name
bis[4-(dimethylamino)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

30
References

78937
Patents

268.15756 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 163.8
[M+Na]+ 291.14678 169.5
[M-H]- 267.15028 173.2
[M+NH4]+ 286.19138 180.7
[M+K]+ 307.12072 168.1
[M+H-H2O]+ 251.15482 155.2
[M+HCOO]- 313.15576 189.6
[M+CH3COO]- 327.17141 212.1
[M+Na-2H]- 289.13223 166.8
[M]+ 268.15701 165.9
[M]- 268.15811 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe