CID 101993

1161-22-4

Structural Information

Molecular Formula
C19H22N2O
SMILES
CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C19H22N2O/c1-20(2)17-10-5-15(6-11-17)7-14-19(22)16-8-12-18(13-9-16)21(3)4/h5-14H,1-4H3
InChIKey
YFMNMPLJIWVXER-UHFFFAOYSA-N
Compound name
1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

513
Patents

294.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.180496 172.1
[M+Na]+ 317.162438 177.3
[M-H]- 293.165944 181.2
[M+NH4]+ 312.207043 188.0
[M+K]+ 333.136378 174.8
[M+H-H2O]+ 277.170480 163.1
[M+HCOO]- 339.171421 197.4
[M+CH3COO]- 353.187071 216.5
[M+Na-2H]- 315.147886 174.0
[M]+ 294.17267142 174.1
[M]- 294.17376858 174.1
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