CID 87218

17665-72-4

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)17-9-5-15(6-10-17)19(13-14-22)16-7-11-18(12-8-16)21(3)4/h5-14H,1-4H3
InChIKey
ITCVZBUCTCGFHF-UHFFFAOYSA-N
Compound name
3,3-bis[4-(dimethylamino)phenyl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

294.17322 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 172.5
[M+Na]+ 317.16244 185.2
[M+NH4]+ 312.20704 180.5
[M+K]+ 333.13638 177.6
[M-H]- 293.16594 178.4
[M+Na-2H]- 315.14789 181.3
[M]+ 294.17267 176.0
[M]- 294.17377 176.0
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