CID 5468202

Nsc666041

Structural Information

Molecular Formula
C24H29N3O
SMILES
CN1C/C(=C\C2=CC=C(C=C2)N(C)C)/C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/C1
InChI
InChI=1S/C24H29N3O/c1-25(2)22-10-6-18(7-11-22)14-20-16-27(5)17-21(24(20)28)15-19-8-12-23(13-9-19)26(3)4/h6-15H,16-17H2,1-5H3/b20-14+,21-15+
InChIKey
KFJPMPQKBODYEB-OZNQKUEASA-N
Compound name
(3E,5E)-3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

375.23105 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.238326 195.0
[M+Na]+ 398.220268 199.5
[M-H]- 374.223774 205.2
[M+NH4]+ 393.264873 206.2
[M+K]+ 414.194208 194.7
[M+H-H2O]+ 358.228310 183.9
[M+HCOO]- 420.229251 215.4
[M+CH3COO]- 434.244901 232.3
[M+Na-2H]- 396.205716 193.1
[M]+ 375.23050142 193.3
[M]- 375.23159858 193.3
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