CID 87218

2-propenal, 3,3-bis(4-(dimethylamino)phenyl)-

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 172.1
[M+Na]+ 317.16244 177.3
[M-H]- 293.16594 181.2
[M+NH4]+ 312.20704 188.0
[M+K]+ 333.13638 174.8
[M+H-H2O]+ 277.17048 163.1
[M+HCOO]- 339.17142 197.4
[M+CH3COO]- 353.18707 216.5
[M+Na-2H]- 315.14789 174.0
[M]+ 294.17267 174.1
[M]- 294.17377 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