CID 5702661

Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]-

Structural Information

Molecular Formula
C27H34N2O
SMILES
CCN(C1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)N(CC)CC)/CC2)CC
InChI
InChI=1S/C27H34N2O/c1-5-28(6-2)25-15-9-21(10-16-25)19-23-13-14-24(27(23)30)20-22-11-17-26(18-12-22)29(7-3)8-4/h9-12,15-20H,5-8,13-14H2,1-4H3/b23-19+,24-20+
InChIKey
KKLBPVXKMBLCQX-BLVCXSLXSA-N
Compound name
(2E,5E)-2,5-bis[[4-(diethylamino)phenyl]methylidene]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

25
Patents

402.26712 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.274396 204.9
[M+Na]+ 425.256338 208.0
[M-H]- 401.259844 216.1
[M+NH4]+ 420.300943 218.1
[M+K]+ 441.230278 202.6
[M+H-H2O]+ 385.264380 194.8
[M+HCOO]- 447.265321 227.8
[M+CH3COO]- 461.280971 236.7
[M+Na-2H]- 423.241786 200.4
[M]+ 402.26657142 205.5
[M]- 402.26766858 205.5
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