CID 5916501

Nc 758

Structural Information

Molecular Formula
C28H44N2O2
SMILES
CCN(CC(C(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)C(CN(CC)CC)(C)C)(C)C)CC
InChI
InChI=1S/C28H44N2O2/c1-9-29(10-2)21-27(5,6)25(31)19-17-23-13-15-24(16-14-23)18-20-26(32)28(7,8)22-30(11-3)12-4/h13-20H,9-12,21-22H2,1-8H3/b19-17+,20-18+
InChIKey
RHKBXWCHOOPPSM-XPWSMXQVSA-N
Compound name
(E)-5-(diethylamino)-1-[4-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

440.34027 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.34755 215.9
[M+Na]+ 463.32949 216.3
[M-H]- 439.33299 219.9
[M+NH4]+ 458.37409 226.0
[M+K]+ 479.30343 213.5
[M+H-H2O]+ 423.33753 207.5
[M+HCOO]- 485.33847 233.3
[M+CH3COO]- 499.35412 247.4
[M+Na-2H]- 461.31494 212.5
[M]+ 440.33972 221.9
[M]- 440.34082 221.9
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.