CID 6477768

Nsc634784

Structural Information

Molecular Formula
C24H26N2O2
SMILES
CN(CCC(=O)N1C/C(=C/C2=CC=CC=C2)/C(=O)/C(=C\C3=CC=CC=C3)/C1)C
InChI
InChI=1S/C24H26N2O2/c1-25(2)14-13-23(27)26-17-21(15-19-9-5-3-6-10-19)24(28)22(18-26)16-20-11-7-4-8-12-20/h3-12,15-16H,13-14,17-18H2,1-2H3/b21-15-,22-16-
InChIKey
UILSIXHPMXONEE-BMJUYKDLSA-N
Compound name
(3Z,5Z)-3,5-dibenzylidene-1-[3-(dimethylamino)propanoyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20671 193.4
[M+Na]+ 397.18865 196.7
[M-H]- 373.19215 201.5
[M+NH4]+ 392.23325 203.5
[M+K]+ 413.16259 191.0
[M+H-H2O]+ 357.19669 182.3
[M+HCOO]- 419.19763 211.7
[M+CH3COO]- 433.21328 223.1
[M+Na-2H]- 395.17410 192.0
[M]+ 374.19888 190.2
[M]- 374.19998 190.2
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

No patent data available for this compound.