CID 234041

2,6-bis(4-dimethylaminobenzylidene)cyclohexanone

Structural Information

Molecular Formula
C24H28N2O
SMILES
CN(C)C1=CC=C(C=C1)C=C2CCCC(=CC3=CC=C(C=C3)N(C)C)C2=O
InChI
InChI=1S/C24H28N2O/c1-25(2)22-12-8-18(9-13-22)16-20-6-5-7-21(24(20)27)17-19-10-14-23(15-11-19)26(3)4/h8-17H,5-7H2,1-4H3
InChIKey
XRJCFZUOXQVWGF-UHFFFAOYSA-N
Compound name
2,6-bis[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

391
Patents

360.22015 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22743 190.3
[M+Na]+ 383.20937 193.9
[M-H]- 359.21287 201.5
[M+NH4]+ 378.25397 203.2
[M+K]+ 399.18331 189.3
[M+H-H2O]+ 343.21741 180.0
[M+HCOO]- 405.21835 212.0
[M+CH3COO]- 419.23400 228.5
[M+Na-2H]- 381.19482 188.9
[M]+ 360.21960 187.6
[M]- 360.22070 187.6
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