CID 108553

1,4-pentadien-3-one, 1,5-bis(4-(diethylamino)phenyl)-

Structural Information

Molecular Formula
C25H32N2O
SMILES
CCN(CC)C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)N(CC)CC
InChI
InChI=1S/C25H32N2O/c1-5-26(6-2)23-15-9-21(10-16-23)13-19-25(28)20-14-22-11-17-24(18-12-22)27(7-3)8-4/h9-20H,5-8H2,1-4H3
InChIKey
ZNNRTWIXUUGIFI-UHFFFAOYSA-N
Compound name
1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

907
Patents

376.25146 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25874 198.8
[M+Na]+ 399.24068 201.6
[M-H]- 375.24418 206.6
[M+NH4]+ 394.28528 211.1
[M+K]+ 415.21462 197.2
[M+H-H2O]+ 359.24872 188.6
[M+HCOO]- 421.24966 222.1
[M+CH3COO]- 435.26531 232.9
[M+Na-2H]- 397.22613 197.4
[M]+ 376.25091 202.0
[M]- 376.25201 202.0
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